MX 14.1

MX_BEAMLINE_14.1

Publications

2024

Charalampidou, A.; Nehls, T.; Meyners, C.; Gandhesiri, S.; Pomplun, S.; Pentelute, B.L.; Lermyte, F.; Hausch, F.: Automated Flow Peptide Synthesis Enables Engineering of Proteins with Stabilized Transient Binding Pockets. , ACS Central Science 10 (2024), p. 649-657
doi: 10.1021/acscentsci.3c01283

Zygowska, J.; Orlikowska, M.; Zhukov, I.; Szymanska, A.; Bal, W.: Copper interaction with cystatin C: effects on protein structure and oligomerization. , FEBS Journal 291 (2024), p. 1974-1991
doi: 10.1111/febs.17092

Dalwani, S.; Metz, A.; Huschmann, F.U.; Weiss, M.S.; Wierenga, R.K.; Venkatesan, R.: Crystallographic fragment-binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate-channeling path between them. , Acta Crystallographica Section D - Structural biology 80 (2024), p. 605-619
doi: 10.1107/s2059798324006557

Breidenbach, J.; Voget, R.; Si, Y.; Hingst, A.; Claff, T.; Sylvester, K.; Wolf, V.; Krasniqi, V.; Useini, A.; Straeter, N.; Ogura, Y.; Kawaguchi, A.; Mueller, C.E; Guetschow, M.: Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs. , Journal of Medicinal Chemistry 67 (2024), p. 8757-8790
doi: 10.1021/acs.jmedchem.4c00053

Spiwoková, P.; Horn, M.; Fanfrlík, J.; Jílková, A.; Fajtová, P.; Leontovyč, A.; Houštecká, R.; Bieliková, L.; Brynda, J.; Chanová, M.; Mertlíková-Kaiserová, H.; Caro-Diaz, E.J.E.; Almaliti, J.; El-Sakkary, N.; Gerwick, W.H.; Caffrey, C.R.; Mareš, M.: Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis. , ACS Infectious Diseases 10 (2024), p. 1935–1948
doi: 10.1021/acsinfecdis.3c00589

Martins, L.A.; Buša, M.; Chlastáková, A.; Kotál, J.; Beránková, Z.; Stergiou, N.; Jmel, M.A.; Schmitt, E.; Mareš, M.; Kotsyfakis, M.: Protease-bound structure of Ricistatin provides insights into the mechanism of action of tick salivary cystatins in the vertebrate host. , Cellular and Molecular Lilfe Sciences 80 (2024), p. 339/1-17
doi: 10.1007/s00018-023-04993-4

Lis, K.; Plewka, J.; Menezes, F.; Bielecka, E.; Chykunova, Y.; Pustelny, K.; Niebling, S.; Garcia, A.S.; Garcia-Alai, M.; Popowicz, G.M.; Nowak, J.S.; Czarna, A.; Kantyka, T.; Pyrc, K.: SARS-CoV-2 M pro oligomerization as a potential target for therapy. , International Journal of Biological Macromolecules 276 (2024), p. 133473/1
doi: 10.1016/j.ijbiomac.2024.133473

Roske, Y.; Cappel, C.; Cremer, N.; Hoffmann, P.; Koudelka, T.; Tholey, A.; Heinemann, U.; Daumke, O.; Damme, M.: Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation. , Nucleic Acids Research 52 (2024), p. 370-384
doi: 10.1093/nar/gkad1114
Data-doi: 10.5281/zenodo.10047708

Pentari, C.; Kosinas, C.; Nikolaivits, E.; Dimarogona, M.; Topakas, E.: Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan. , Biotechnology and Bioengineering 121 (2024), p. 2067-2078
doi: 10.1002/bit.28731

Wator, E.; Wilk, P.; Kochanowski, P.; Grudnik, P.: Structural characterization of the (deoxy)hypusination in Trichomonas vaginalis questions the bifunctionality of deoxyhypusine synthase. , FEBS Journal 291 (2024), p. 3856-3869
doi: 10.1111/febs.17207

Soltysová, M.; Skerlová, J.; Pachl, P.; Skubník, K.; Fábry, M.; Sieglová, I.; Farolfi, M.; Grishkovskaya, I.; Babiak, M.; Novácek, J.; Krásný, L.; Rezácová, P.: Structural characterization of two prototypical repressors of SorC family reveals tetrameric assemblies on DNA and mechanism of function. , Nucleic Acids Research 52 (2024), p. 7305-7320
doi: 10.1093/nar/gkae434

Brangulis, K.; Akopjana, I.; Bogans, J.; Kazaks, A.; Tars, K.: Structural studies of chromosomally encoded outer surface lipoprotein BB0158 from Borrelia burgdorferi sensu stricto. , Ticks and Tick-borne Diseases 15 (2024), p. 102287/1-9
doi: 10.1016/j.ttbdis.2023.102287

Useini, A.; Schwerin, I.K.; Kuenze, G.; Straeter, N.: Structural Studies on the Binding Mode of Bisphenols to PPARγ. , Biomolecules 14 (2024), p. 640/1-15
doi: 10.3390/biom14060640

Brangulis, K.; Drunka, L.; Akopjana, I.; Tars, K.: Structure of the Borrelia burgdorferi ATP-dependent metalloprotease FtsH in its functionally relevant hexameric form. , Biochimica et Biophysica Acta - Proteins and Proteomics 1872 (2024), p. 140969/1-8
doi: 10.1016/j.bbapap.2023.140969

Altincekic, N.; Jores, N.; Löhr, F.; Richter, C.; Ehrhardt, C.; Blommers, M.J.J.; Berg, H.; Öztürk, S.; Gande, S.L.; Linhard, V.; Orts, J.; Abi Saad, M.J.; Bütikofer, M.; Kaderli, J.; Karlsson, B.G.; Brath, U.; Hedenström, M.; Gröbner, G.; Sauer, U.H.; Perrakis, A.; Langer, J.; Banci, L.; Cantini, F.; Fragai, M.; Grifagni, D.; Barthel, T.; Wollenhaupt, J.; Weiss, M.S.; Robertson, A.; Bax, A.; Sreeramulu, S.; Schwalbe, H.: Targeting the Main Protease (M^p^r^o, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies. , ACS Chemical Biology 19 (2024), p. 563-574
doi: 10.1021/acschembio.3c00720

Pentari, C.; Zerva, A.; Kosinas, C.; Karampa, P.; Puchart, V.; Dimarogona, M.; Topakas, E.: The role of CE16 exo-deacetylases in hemicellulolytic enzyme mixtures revealed by the biochemical and structural study of the novel TtCE16B esterase. , Carbohydrate Polymers 327 (2024), p. 121667/1-13
doi: 10.1016/j.carbpol.2023.121667

Buffa, V.; Meyners, C.; Sugiarto, W.O.; Bauder, M.; Gaali, S.; Hausch, F.: 1,4-Pyrazolyl-Containing SAFit-Analogues are Selective FKBP51 Inhibitors With Improved Ligand Efficiency and Drug-Like Profile. , ChemMedChem 19 (2024), p. e202400264/1-23
doi: 10.1002/cmdc.202400264

van der Straat, R.; Draijer, R.; Surmiak, E.; Butera, R.; Land, L.; Magiera-Mularz, K.; Musielak, B.; Plewka, J.; Holak, T.A.; Dömling, A.: 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists. , RSC Medicinal Chemistry 15 (2024), p. 1210-1215
doi: 10.1039/d3md00746d

2023

Barthel, Tatjana: Crystallographic fragment screening - improvement of workflow, tools and procedures, and application for the development of enzyme and protein-protein interaction modulators. , FU Berlin, 2023

Job, Laura: Konstruktion und gentechnische Herstellung katalytischer Bioscavenger zur Detoxifizierung phosphororganischer Verbindungen. , TU München, 2023

Dimos, Nicole: Structural and biochemical characterization of biotechnologically relevant enzymes. , FU Berlin, 2023

Garbers, Tim Benedict: Structure-based Search for novel c-di-AMP Synthase Inhibiting Fragments. , Uni Göttingen, 2023

Mut, Jürgen: Synthese komplexer funktionaler Mono- und Oligosaccharid-Bausteine zur Untersuchung und Modifikation von Membranoberflächen humaner mesenchymaler Stromazellen. , Uni Würzburg, 2023

Truongvan, Ngoc: Understanding the dual specificity of UBA6. , Uni Würzburg, 2023

Foor, S.D.; Brangulis, K.; Shakya, A.K.; Rana, V.S.; Bista, S.; Kitsou, C.; Ronzetti, M.; Alreja, A.B.; Linden, S.B.; Altieri, A.S.; Baljinnyam, B.; Akopjana, I.; Nelson, D.C.; Simeonov, A.; Herzberg, O.; Caimano, M.J.; Pal, U.: A unique borrelial protein facilitates microbial immune evasion. , mBio 14 (2023), p. e02135-23/1-24
doi: 10.1128/mbio.02135-23

Busa, M.; Matouskova, Z.; Bartosova-Sojkova, P.; Pachl, P.; Rezacova, P.; Eichenberger, R.M.; Deplazes, P.; Horn, M.; Stefanic, S.; Mares, M.: An evolutionary molecular adaptation of an unusual stefin from the liver fluke Fasciola hepatica redefines the cystatin superfamily. , Journal of Biological Chemistry 299 (2023), p. 102970/1-14
doi: 10.1016/j.jbc.2023.102970

Borek, B.; Nowicka, J.; Gzik, A.; Dziegielewski, M.; Jedrzejczak, K.; Brzezinska, J.; Grzybowski, M.; Stanczak, P.; Pomper, P.; Zagozdzon, A.; Rejczak, T.; Matyszewski, K.; Golebiowski, A.; Olczak, J.; Lisiecki, K.; Tyszkiewicz, M.; Kania, M.; Piasecka, S.; Cabaj, A.; Dera, P.; Mulewski, K.; Chrzanowski, J.; Kusmirek, D.; Sobolewska, E.; Magdycz, M.; Mucha, L.; Masnyk, M.; Golab, J.; Nowotny, M.; Nowak, E.; Napiorkowska-Gromadzka, A.; Pikul, S.; Jazwiec, R.; Dzwonek, K.; Dobrzanski, P.; Meyring, M.; Skowronek, K.; Iwanowski, P.; Zaslona, Z.; Blaszczyk, R.: Arginase 1/2 inhibitor OATD-02: from discovery to first-in-man setup in cancer immunotherapy. , Molecular Cancer Therapeutics 22 (2023), p. 807–817
doi: 10.1158/1535-7163.mct-22-0721

Minniberger, S.; Abdolvand, S.; Braunbeck, S.; Sun, H.; Plested, A.J.R.: Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. , Journal of Molecular Biology : jmb 435 (2023), p. 167970/1-16
doi: 10.1016/j.jmb.2023.167970

Ivanova, J.N.; Nocentini, A.; Ta Rs, K.; Leita Ns, J.N.; Dvinskis, E.; Kazaks, A.; Domraceva, I.; Supuran, C.T.; Zalubovskis, R.: Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect. , Journal of Medicinal Chemistry 66 (2023), p. 5703-5718
doi: 10.1021/acs.jmedchem.3c00007

Fanfrlík, J.; Brynda, J.; Kugler, M.; Lepsik, M.; Pospísilová, K.; Holub, J.; Hnyk, D.; Nekvinda, J.; Grüner, B.; Rezácová, P.: B–H⋯π and C–H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. , Physical Chemistry Chemical Physics 25 (2023), p. 1728-1733
doi: 10.1039/d2cp04673c

Pustelny, K.; Grygier, P.; Barzowska, A.; Pucelik, B.; Matsuda, A.; Mrowiec, K.; Slugocka, E.; Popowicz, G.M.; Dubin, G.; Czarna, A.: Binding mechanism and biological effects of flavone DYRK1A inhibitors for the design of new antidiabetics. , Scientific Reports 13 (2023), p. 18114/1-18
doi: 10.1038/s41598-023-44810-3

Junghare, M.; Manavalan, T.; Fredriksen, L.; Leiros, I.; Altermark, B.; Eijsink, V.G.H.; Vaaje-Kolstad, G.: Biochemical and structural characterisation of a family GH5 cellulase from endosymbiont of shipworm P. megotara. , Biotechnology for Biofuels and Bioproducts 16 (2023), p. 61/1-15
doi: 10.1186/s13068-023-02307-1

Zink, Christoph: Biochemische und strukturbiologische Charakterisierung der Inhibition der Pyridoxal 5´-Phosphat Phosphatase durch 7,8-Dihydroxyflavon. , Dissertation, Würzburg, Universität Würzburg, 2023
doi: 10.25972/OPUS-25151

Navarrete, K.M.; Bumba, L.; Prudnikova, T.; Malcova, I.; Allsop, T.R.; Sebo, P.; Kamanova, J.: BopN is a Gatekeeper of the Bordetella Type III Secretion System. , Microbiology Spectrum 11 (2023), p. e04112-22/1-18
doi: 10.1128/spectrum.04112-22

Kovalova, M.; Havlicek, L.; Djukic, S.; Skerlova, J.; Perina, M.; Pospisil, T.; Reznickova, E.; Rezacova, P.; Jorda, R.; Krystof, V.: Characterization of new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7. , Biomedicine & Pharmacotherapy 161 (2023), p. 114492/1-9
doi: 10.1016/j.biopha.2023.114492

Kascakova, B.; Kotal, J.; Havlickova, P.; Vopatkova, V.; Prudnikova, T.; Grinkevich, P.; Kuty, M.; Chmelar, J.; Kuta Smatanova, I.: Conformational transition of the Ixodes ricinus salivary serpin Iripin-4. , Acta Crystallographica Section D - Structural biology 79 (2023), p. 409-419
doi: 10.1107/s2059798323002322

Vester, K.; Metz, A.; Huber, S.; Loll, B.; Wahl, M.C.: Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2. , Acta Crystallographica Section D - Structural biology 79 (2023), p. 304-317
doi: 10.1107/s2059798323001778

Wator, E.; Wilk, P.; Biela, A.; Rawski, M.; Zak, K.M.; Steinchen, W.; Bange, G.; Glatt, S.; Grudnik, P.: Cryo-EM structure of human eIF5A-DHS complex reveals the molecular basis of hypusination-associated neurodegenerative disorders. , Nature Communications 14 (2023), p. 1698/1-14
doi: 10.1038/s41467-023-37305-2

Gardonyi, M.; Hasewinkel, C.; Wallbaum, J.; Wollenhaupt, J.; Weiss, M.S.; Klebe, G.; Reuter, K.; Heine, A.: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC. , ACS Omega 8 (2023), p. 46051-46065
doi: 10.1021/acsomega.3c07058

Purder, P.L.; Meyners, C.; Sugiarto, W.O.; Kolos, J.; Lohr, F.; Gebel, J.; Nehls, T.; Dotsch, V.; Lermyte, F.; Hausch, F.: Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. , JACS Au : an open access journal of the American Chemical Society 3 (2023), p. 2478-2486
doi: 10.1021/jacsau.3c00241

Gao, S.; Song, L.; Sylvester, K.; Mercorelli, B.; Loregian, A.; Toth, K.; Weisse, R.H.; Useini, A.; Straeter, N.; Yang, M.; Ye, B.; Tollefson, A.E.; Mueller, C.E.; Liu, X.; Zhan, P.: Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability. , Journal of Medicinal Chemistry 66 (2023), p. 16426-16440
doi: 10.1021/acs.jmedchem.3c01876

Skacel, J.; Djukic, S.; Baszczynski, O.; Kalcic, F.; Bilek, T.; Chalupsky, K.; Kozak, J.; Dvorakova, A.; Tloust'ova, E.; Kral'ova, Z.; Smidkova, M.; Voldrich, J.; Rumlova, M.; Pachl, P.; Brynda, J.; Vuckova, T.; Fabry, M.; Snasel, J.; Pichova, I.; Rezacova, P.; Mertlikova-Kaiserova, H.; Janeba, Z.: Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. , Journal of Medicinal Chemistry 66 (2023), p. 6652-6681
doi: 10.1021/acs.jmedchem.2c02097

Silhan, J.; Klima, M.; Otava, T.; Skvara, P.; Chalupska, D.; Chalupsky, K.; Kozic, J.; Nencka, R.; Boura, E.: Discovery and structural characterization of monkeypox virus methyltransferase VP39 inhibitors reveal similarities to SARS-CoV-2 nsp14 methyltransferase. , Nature Communications 14 (2023), p. 2259/1-9
doi: 10.1038/s41467-023-38019-1

Sigurdsson, A.; Martins, B.M.; Düttmann, S.A.; Jasyk, M.; Dimos-Röhl, B.; Schöpf, F.; Gemander, M.; Knittel, C.H.; Schnegotzki, R.; Schmid, B.; Kosol, S.; Pommerening, L.; Gonzales-Viegaz, M.; Seidel, M.; Hügelland, M.; Leimkühler, S.; Dobbek, H.; Mainz, A.; Süssmuth, R.D.: Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL. , Angewandte Chemie - International Edition 62 (2023), p. e202302490/1-11
doi: 10.1002/anie.202302490

Kugler, M.; Hadzima, M.; Dzijak, R.; Rampmaier, R.; Srb, P.; Vrzal, L.; Voburka, Z.; Majer, P.; Rezacova, P.; Vrabel, M.: Identification of specific carbonic anhydrase inhibitors via in situ click chemistry, phage-display and synthetic peptide libraries: comparison of the methods and structural study. , RSC Medicinal Chemistry 14 (2023), p. 144-153
doi: 10.1039/d2md00330a

Hamre, A.G.; Al-Sadawi, R.; Johannesen, K.M.; Bisarro, B.; Kjendseth, A.R.; Leiros, H.S.; Sorlie, M.: Initial characterization of an iron superoxide dismutase from Thermobifida fusca. , Journal of Biological Inorganic Chemistry 28 (2023), p. 689-698
doi: 10.1007/s00775-023-02019-9

Schackert, F.K.; Biedermann, J.; Abdolvand, S.; Minniberger, S.; Song, C.; Plested, A.J.R.; Carloni, P.; Sun, H.: Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel. , Journal of Chemical Information and Modeling 63 (2023), p. 1293-1300
doi: 10.1021/acs.jcim.2c01494

Zuber, Philipp: Mechanistische Untersuchungen zur Regulation der bakteriellen Transkription durch NusG-Proteine. , Dissertation, 2020 , Universität Bayreuth, 2023

Abualrous, E.T.; Stolzenberg, S.; Sticht, J.; Wieczorek, M.; Roske, Y.; Gunther, M.; Dahn, S.; Boesen, B.B.; Calvo, M.M.; Biese, C.; Kuppler, F.; Medina-Garcia, A.; Alvaro-Benito, M.; Hofer, T.; Noe, F.; Freund, C.: MHC-II dynamics are maintained in HLA-DR allotypes to ensure catalyzed peptide exchange. , Nature Chemical Biology 19 (2023), p. 1196-1204
doi: 10.1038/s41589-023-01316-3

Adolph, R.S.; Beck, E.; Schweimer, K.; Di Fonzo, A.; Weyand, M.; Rosch, P.; Wöhrl, B.M.; Steegborn, C.: Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein. , Life (Basel) 13 (2023), p. 949/1-17
doi: 10.3390/life13040949

Klee, L.S.; Gárdonyi, M.; Hüfner, T.; Heine, A.; Klebe, G.: Mutational Studies of Aldose Reductase to Trace a Transient Pocket Opening and to Explain Ligand Affinity Cliffs. , ChemMedChem 18 (2023), p. e202300222/1-10
doi: 10.1002/cmdc.202300222

Cowan, R.; Trokter, M.; Oleksy, A.; Fedorova, M.; Sawmynaden, K.; Worzfeld, T.; Offermanns, S.; Matthews, D.; Carr, M.D.; Hall, G.: Nanobody inhibitors of Plexin-B1 identify allostery in plexin-semaphorin interactions and signalling. , Journal of Biological Chemistry 299 (2023), p. 104740/1-16
doi: 10.1016/j.jbc.2023.104740

Füsser, F.T.; Wollenhaupt, J.; Weiss, M.S.; Kümmel, D.; Koch, O.: Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening. , Acta Crystallographica Section D - Structural biology 79 (2023), p. 857-865
doi: 10.1107/s2059798323005223
Data-doi: 10.17879/40019550156
Data-doi: 10.17879/69998577695
Data-doi: 10.17879/39998753552

Nietzold, F.; Rubner, S.; Labuzek, B.; Golik, P.; Surmiak, E.; Del Corte, X.; Kitel, R.; Protzel, C.; Reppich-Sacher, R.; Stichel, J.; Magiera-Mularz, K.; Holak, T.A.; Berg, T.: Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group. , ChemBioChem 24 (2023), p. e202300006/1-6
doi: 10.1002/cbic.202300006

Tröster, A.; DiPrima, M.; Jores, N.; Kudlinzki, D.; Sreeramulu, S.; Grande, S.L.; Linhard, V.; Ludig, D.; Schug, A.; Saxena, K.; Reinecke, M.; Heinzlmeir, S.; Leisegang, M.S.; Wollenhaupt, J.; Lennartz, F.; Weiss, M.S.; Kuster, B.; Tosato, G.; Schwalbe, H.: Optimization of the Lead Compound NVP-BHG712 as Colorectal Cancer Inhibitor. , Chemistry - A European Journal 29 (2023), p. e202203967/1-11
doi: 10.1002/chem.202203967

Heyder, L.; Hochban, P.M.M.; Taylor, C.; Chevillard, F.; Siefker, C.; Iking, C.; Borchardt, H.; Aigner, A.; Klebe, G.; Heine, A.; Kolb, P.; Diederich, W.E.: Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. , European Journal of Medicinal Chemistry 245 (2023), p. 114914/1-23
doi: 10.1016/j.ejmech.2022.114914

Tusar, L.; Loboda, J.; Impens, F.; Sosnowski, P.; Van Quickelberghe, E.; Vidmar, R.; Demol, H.; Sedeyn, K.; Saelens, X.; Vizovisek, M.; Mihelic, M.; Fonovic, M.; Horvat, J.; Kosec, G.; Turk, B.; Gevaert, K.; Turk, D.: Proteomic data and structure analysis combined reveal interplay of structural rigidity and flexibility on selectivity of cysteine cathepsins. , Communications Biology 6 (2023), p. 450/1-15
doi: 10.1038/s42003-023-04772-8

Izhaki-Tavor, L.S.; Yechezkel, I.G.; Alter, J.; Dessau, M.: RNA Encapsulation Mode and Evolutionary Insights from the Crystal Structure of Emaravirus Nucleoprotein. , Microbiology Spectrum 11 (2023), p. e05018-22
doi: 10.1128/spectrum.05018-22

Sun, S.; Fushimi, M.; Rossetti, T.; Kaur, N.; Ferreira, J.; Miller, M.; Quast, J.; van den Heuvel, J.; Steegborn, C.; Levin, L.R.; Buck, J.; Myers, R.W.; Kargman, S.; Liverton, N.; Meinke, P.T.; Huggins, D.J.: Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation. , Journal of Chemical Information and Modeling 63 (2023), p. 2828-2841
doi: 10.1021/acs.jcim.2c01577

Grygier, P.; Pustelny, K.; Nowak, J.; Golik, P.; Popowicz, G.M.; Plettenburg, O.; Dubin, G.; Menezes, F.; Czarna, A.: Silmitasertib (CX-4945), a Clinically Used CK2-Kinase Inhibitor with Additional Effects on GSK3β and DYRK1A Kinases: A Structural Perspective. , Journal of Medicinal Chemistry 66 (2023), p. 4009-4024
doi: 10.1021/acs.jmedchem.2c01887

Schmidt, A.; Kalms, J.; Lorent, C.; Katz, S.; Frielingsdorf, S.; Evans, R.M.; Fritsch, J.; Siebert, E.; Teutloff, C.; Armstrong, F.A.; Zebger, I.; Lenz, O.; Scheerer, P.: Stepwise conversion of the Cys₆[4Fe-3S] to a Cys₄[4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase. , Chemical Science 14 (2023), p. 11105-11120
doi: 10.1039/d3sc03739h

Basak, Y.; Jeoung, J.H.; Domnik, L.; Dobbek, H.: Stepwise O₂-Induced Rearrangement and Disassembly of the [NiFe₄(OH)(μ₃-S)₄] Active Site Cluster of CO Dehydrogenase. , Angewandte Chemie - International Edition 62 (2023), p. e202305341/1-7
doi: 10.1002/anie.202305341

Nielipinski, M.; Pietrzyk-Brzezinska, A.; Wlodawer, A.; Sekula, B.: Structural analysis and molecular substrate recognition properties of Arabidopsis thaliana ornithine transcarbamylase, the molecular target of phaseolotoxin produced by Pseudomonas syringae. , Frontiers in Plant Science 14 (2023), p. 1297956/1-14
doi: 10.3389/fpls.2023.1297956

Pasch, T.; Schröder, A.; Kattelmann, S.; Eisenstein, M.; Pietrokovski, S.; Kümmel, D.; Mootz, H.D.: Structural and biochemical analysis of a novel atypically split intein reveals a conserved histidine specific to cysteine-less inteins. , Chemical Science 14 (2023), p. 5204-5213
doi: 10.1039/d3sc01200j

Szabo, E.; Nemes-Nikodem, E.; Vass, K.R.; Zambo, Z.; Zrupko, E.; Torocsik, B.; Ozohanics, O.; Nagy, B.; Ambrus, A.: Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase. , International Journal of Molecular Sciences 24 (2023), p. 10826/1-23
doi: 10.3390/ijms241310826

Sievers, Katharina: Structural and functional investigation of tRNA guanine transglycosylase. , Uni Göttingen, 2023

Kratky, J.; Eggerichs, D.; Heine, T.; Hofmann, S.; Sowa, P.; Weisse, R.H.; Tischler, D.; Sträter, N.: Structural and Mechanistical Studies on Substrate and Stereo Selectivity of the Indole Monooxygenase VpIndA1: New Avenues for Biocatalytic Epoxidations and Sulfoxidations. , Angewandte Chemie - International Edition 62 (2023), p. e202300657/1-8
doi: 10.1002/anie.202300657

Skvara, P.; Chalupska, D.; Klima, M.; Kozic, J.; Silhan, J.; Boura, E.: Structural basis for RNA-cap recognition and methylation by the mpox methyltransferase VP39. , Antiviral Research 216 (2023), p. 105663/1-4
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Marcinkiewicz, A.L.; Brangulis, K.; Dupuis, A.P.; Hart, T.M.; Zamba-Campero, M.; Nowak, T.A.; Stout, J.L.; Akopjana, I.; Kazaks, A.; Bogans, J.; Ciota, A.T.; Kraiczy, P.; Kolokotronis, S.O.; Lin, Y.P.: Structural evolution of an immune evasion determinant shapes pathogen host tropism. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 120 (2023), p. e2301549120/1-9
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Richter, P.K.; Blazquez-Sanchez, P.; Zhao, Z.; Engelberger, F.; Wiebeler, C.; Kuenze, G.; Frank, R.; Krinke, D.; Frezzotti, E.; Lihanova, Y.; Falkenstein, P.; Matysik, J.; Zimmermann, W.; Straeter, N.; Sonnendecker, C.: Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product. , Nature Communications 14 (2023), p. 1905/1-11
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Wojcik, P.; Glanowski, M.; Mrugala, B.; Procner, M.; Zastawny, O.; Flejszar, M.; Kurpiewska, K.; Niedzialkowska, E.; Minor, W.; Oszajca, M.; Bojarski, A.J.; Wojtkiewicz, A.M.; Szaleniec, M.: Structure, Mutagenesis, and QM:MM Modeling of 3-Ketosteroid Delta 1 -Dehydrogenase from Sterolibacterium denitrificans ?The Role of a New Putative Membrane-Associated Domain and Proton-Relay System in Catalysis. , Biochemistry 62 (2023), p. 808-823
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Knaup, F.H.; Meyners, C.; Sugiarto, W.O.; Wedel, S.; Springer, M.; Walz, C.; Geiger, T.M.; Schmidt, M.; Sisignano, M.; Hausch, F.: Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. , Journal of Medicinal Chemistry 66 (2023), p. 5965-5980
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Michel, F.; Shanmugaratnam, S.; Romero-Romero, S.; Höcker, B.: Structures of permuted halves of a modern ribose-binding protein. , Acta Crystallographica Section D - Structural biology 79 (2023), p. 40-49
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Roske, Y.; Lindemann, F.; Diehl, A.; Cremer, N.; Higman, V.A.; Schlegel, B.; Leidert, M.; Driller, K.; Turgay, K.; Schmieder, P.; Heinemann, U.; Oschkinat, H.: TapA acts as specific chaperone in TasA filament formation by strand complementation. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 120 (2023), p. e2217070120/1-12
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Maly, M.; Kolenko, P.; Stransky, J.; Svecova, L.; Duskova, J.; Koval', T.; Skalova, T.; Trundova, M.; Adamkova, K.; Cerny, J.; Bozikova, P.; Dohnalek, J.: Tetracycline-modifying enzyme SmTetX from Stenotrophomonas maltophilia. , Acta Crystallographica Section F - Structural Biology Communications 79 (2023), p. 180-192
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Tan, D.S.; Cheung, S.L.; Gao, Y.; Weinbuch, M.; Hu, H.; Shi, L.; Ti, S.C.; Hutchins, A.P.; Cojocaru, V.; Jauch, R.: The homeodomain of Oct4 is a dimeric binder of methylated CpG elements. , Nucleic Acids Research 51 (2023), p. 1120–1138
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Hammerschmidt, S.J.; Huber, S.; Braun, N.J.; Lander, M.; Steinmetzer, T.; Kersten, C.: Thermodynamic characterization of a macrocyclic Zika virus NS2B/NS3 protease inhibitor and its acyclic analogs. , Archiv der Pharmazie : Arch Pharm 356 (2023), p. e2200518/1-10
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Aguirre, Tim: Towards Selective Kinase Inhibitors by Chemical Genetics and Photopharmacology. , HU Berlin, 2023

Kalnins, G.; Ludviga, R.; Kalnciema, I.; Resevica, G.; Zeltina, V.; Bogans, J.; Tars, K.; Zeltins, A.; Balke, I.: VPg Impact on Ryegrass Mottle Virus Serine-like 3C Protease Proteolysis and Structure. , International Journal of Molecular Sciences 24 (2023), p. 5347/1-21
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Marinovic, M.A.; Bekic, S.S.; Kugler, M.; Brynda, J.; Skerlova, J.; Skoric, D.D.; Rezacova, P.; Petri, E.T.; Celic, A.S.: X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis. , RSC Medicinal Chemistry 14 (2023), p. 341-355
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Bikmullin, A.G.; Fatkhullin, B.; Stetsenko, A.; Gabdulkhakov, A.; Garaeva, N.; Nurullina, L.; Klochkova, E.; Golubev, A.; Khusainov, I.; Trachtmann, N.; Blokhin, D.; Guskov, A.; Validov, S.; Usachev, K.; Yusupov, M.: Yet Another Similarity between Mitochondrial and Bacterial Ribosomal Small Subunit Biogenesis Obtained by Structural Characterization of RbfA from S. aureus. , International Journal of Molecular Sciences 24 (2023), p. 2118/1-15
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Hasan, M.; Schulze, S.; Berndt, L.; Palm, G.J.; Braga, D.; Richter, I.; Last, D.; Lammers, M.; Lackner, G.: Diversification by CofC and Control by CofD Govern Biosynthesis and Evolution of Coenzyme F 420 and Its Derivative 3PG-F 420. , mBio 13 (2022), p. e03501-21/1-15
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Nguyen, A.; Gemmecker, G.; Softley, C.A.; Movsisyan, L.D.; Pfaffeneder, T.; Heine, A.; Reuter, K.; Diederich, F.; Sattler, M.; Klebe, G.: F-19-NMR Unveils the Ligand-Induced Conformation of a Catalytically Inactive Twisted Homodimer of tRNA-Guanine Transglycosylase. , ACS Chemical Biology 17 (2022), p. 1745-1755
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Ali, Rana Emadeldin Hussein: Investigations of the structural dynamics of the water and proton channels in Photosystem II. , HU Berlin, 2022

Barthel, T.; Wollenhaupt, J.; Lima, G.M.A.; Wahl, M.C.; Weiss, M.S.: Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. , Journal of Medicinal Chemistry 65 (2022), p. 14630-14641
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Von Haugwitz, G.; Han, X.; Pfaff, L.; Li, Q.; Wei, H.; Gao, J.; Methling, K.; Ao, Y.; Brack, Y.; Mican, J.; Feiler, C.G.; Weiss, M.S.; Bednar, D.; Palm, G.J.; Lalk, M.; Lammers, M.; Damborsky, J.; Weber, G.; Liu, W.; Bornscheuer, U.T.; Wei, R.: Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization. , ACS Catalysis 12 (2022), p. 15259-15270
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Herder, Luisa Marie Sabine: Structural investigation of the photocycle of the bacterial bathy phytochrome Agp2 PAiRFP2. , TU Berlin, 2022

van der Ent, F.; Lund, B.A.; Svalberg, L.; Purg, M.; Chukwu, G.; Widersten, M.; Isaksen, G.V.; Brandsdal, B.O.; Aqvist, J.: Structure and Mechanism of a Cold-Adapted Bacterial Lipase. , Biochemistry 61 (2022), p. 933-942
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Kiliszek, A.; Pluta, M.; Bejger, M.; Rypniewski, W.: Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair. , RNA 29 (2022), p. 44-54
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Scortichini, M.; Idris, R.M.; Moschütz, S.; Keim, A.; Salmaso, V.; Dobelmann, C.; Oliva, P.; Losenkova, K.; Irjala, H.; Vaittinen, S.; Sandholm, J.; Yegutkin, G.G.; Sträter, N.; Junker, A.; Müller, C.E.; Jacobson, K.A.: Structure-Activity Relationship of 3-Methylcytidine-5'-α,β-methylenediphosphates as CD73 Inhibitors. , Journal of Medicinal Chemistry 65 (2022), p. 2409-2433
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Specker, E.; Matthes, S.; Wesolowski, R.; Schutz, A.; Grohmann, M.; Alenina, N.; Pleimes, D.; Mallow, K.; Neuenschwander, M.; Gogolin, A.; Weise, M.; Pfeifer, J.; Ziebart, N.; Heinemann, U.; Kries, J.P.v.; Nazare, M.; Bader, M.: Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors. , Journal of Medicinal Chemistry 65 (2022), p. 11126-11149
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Huber, S.; Braun, N.J.; Schmacke, L.C.; Quek, J.P.; Murra, R.; Bender, D.; Hildt, E.; Luo, D.; Heine, A.; Steinmetzer, T.: Structure-Based Optimization and Characterization of MacrocyclicZika Virus NS2B-NS3 Protease Inhibitors. , Journal of Medicinal Chemistry 65 (2022), p. 6555-6572
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Pietrzyk-Brzezinska, A.J.; Cociurovscaia, A.: Structures of the TetR-like transcription regulator RcdA alone and in complexes with ligands. , Proteins - Structure, Function and Bioinformatics 90 (2022), p. 33-44
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Truongvan, N.; Li, S.; Misra, M.; Kuhn, M.; Schindelin, H.: Structures of UBA6 explain its dual specificity for ubiquitin and FAT10. , Nature Communications 13 (2022), p. 4789/1-12
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Basak, Y.; Jeoung, J.H.; Domnik, L.; Ruickoldt, J.; Dobbek, H.: Substrate Activation at the Ni,Fe Cluster of CO Dehydrogenases: The Influence of the Protein Matrix. , ACS Catalysis 12 (2022), p. 12711-12719
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Lan, Huan: The mechanism of tapasin-mediated peptide exchange of MHC Class I molecules. , Dissertation, 2022, Freie Universität Berlin, 2022

Gabdulkhakov, A.; Kolyadenko, I.; Oliveira, P.; Tamagnini, P.; Mikhaylina, A.; Tishchenko, S.: The role of positive charged residue in the proton-transfer mechanism of two-domain laccase from Streptomyces griseoflavus Ac-993. , Journal of Biomolecular Structure and Dynamics 40 (2022), p. 8324-8331
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Radilova, K.; Zima, V.; Kral, M.; Machara, A.; Majer, P.; Hodek, J.; Weber, J.; Brynda, J.; Strmen, T.; Konvalinka, J.; Kozisek, M.: Thermodynamic and structural characterization of an optimized peptide-based inhibitor of the influenza polymerase PA-PB1 subunit interaction. , Antiviral Research 208 (2022), p. 105449/1-9
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Jorda, R.; Havlicek, L.; Perina, M.; Vojackova, V.; Pospisil, T.; Djukic, S.; Skerlova, J.; Gruz, J.; Renesova, N.; Klener, P.; Rezacova, P.; Strnad, M.; Krystof, V.: 3,5,7-Substituted Pyrazolo[4,3-d]Pyrimidine Inhibitors of Cyclin-Dependent Kinases and Cyclin K Degraders. , Journal of Medicinal Chemistry 65 (2022), p. 8881-8896
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2021

Herud-Sikimic, O.; Stiel, A.C.; Kolb, M.; Shanmugaratnam, S.; Berendzen, K.W.; Feldhaus, C.; Höcker, B.; Jürgens, G.: A biosensor for the direct visualization of auxin. , Nature 592 (2021), p. 768–772
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Kröger, P.; Shanmugaratnam, S.; Ferruz, N.; Schweimer, K.; Höcker, B.: A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. , Structure 29 (2021), p. 433-443.e4/1-11
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Ebner, F.; Lindner, K.; Janek, K.; Niewienda, A.; Malecki, P.H.; Weiss, M.S.; Sutherland, T.E.; Heuser, A.; Kühl, A.A.; Zentek, J.; Hofmann, A.; Hartmann, S.: A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease. , Journal of Immunology Research 2021 (2021), p. 6234836/1-24
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Eltschkner, S.; Kehrein, J.; Le, T.A.; Davoodi, S.; Merget, B.; Basak, S.; Weinrich, J.D.; Schiebel, J.; Tonge, P.J.; Engels, B.; Sotriffer, C.; Kisker, C.: A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. , ACS Infectious Diseases 7 (2021), p. 746-758
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Kriegel, M.; Wiederanders, H.J.; Alkhashrom, S.; Eichler, J.; Muller, Y.A.: A PROSS-designed extensively mutated estrogen receptor alpha variant displays enhanced thermal stability while retaining native allosteric regulation and structure. , Scientific Reports 11 (2021), p. 10509/1-13
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Kumar, M.; Markiewicz-Mizera, J.; Janna Olmos, J.D.; Wilk, P.; Grudnik, P.; Biela, A.P.; Jemiola-Rzeminska, M.; Górecki, A.; Chakraborti, S.; Heddle, J.G.: A single residue can modulate nanocage assembly in salt dependent ferritin. , Nanoscale 13 (2021), p. 11932-11942
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Chanique, A.M.; Dimos, N.; Drienovska, I.; Calderini, E.; Pantin, M.P.; Helmer, C.P.O.; Hofer, M.; Sieber, V.; Parra, L.P.; Loll, B.; Kourist, R.: A Structural View on the Stereospecificity of Plant Borneol-Type Dehydrogenases. , ChemCatChem 13 (2021), p. 2262-2277
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Ambrus, Attila: A szerkezet összefüggése a funkcióval válogatott biológiai rendszerekben = Interrelation between structure and function in selected biological systems. , Semmelweis University, Budapest, University Habilitation Thesis, 2021

Lechner, H.; Emann, V.R.; Breuning, M.; Höcker, B.: An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host. , ChemBioChem 22 (2021), p. 1573-1577
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Jílková, A.; Horn, M.; Fanfrlík, J.; Küppers, J.; Pachl, P.; Rezacová, P.; Lepsík, M.; Fajtová, P.; Rubesová, P.; Chanová, M.; Caffrey, C.R.; Gütschow, M.; Mares, M.: Azanitrile Inhibitors of the SmCB1 Protease Target Are Lethal to Schistosoma mansoni: Structural and Mechanistic Insights into Chemotype Reactivity. , ACS Infectious Diseases 7 (2021), p. 189–201
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Pan, J.; Lian, K.; Sarre, A.; Leiros, H.-K.S.; Williamson, A.: Bacteriophage origin of some minimal ATP-dependent DNA ligases: a new structure from Burkholderia pseudomallei with striking similarity to Chlorella virus ligase. , Scientific Reports 11 (2021), p. 18693/1-14
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Jeoung, J.H.; Rünger, S.; Haumann, M.; Neumann, B.; Klemke, F.; Davis, V.; Fischer, A.; Dau, H.; Wollenberger, U.; Dobbek, H.: Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation. , Inorganic Chemistry 60 (2021), p. 17498–17508
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Weiß, Sandra Kristin: Biochemische und strukturelle Charakterisierung der Regulation von Sirtuinen durch AROS und Kleinmoleküle. , Universität Bayreuth, Diss., 2021

Kiliszek, A.; Blaszczyk, L.; Bejger, M.; Rypniewski, W.: Broken symmetry between RNA enantiomers in a crystal lattice. , Nucleic Acids Research 49 (2021), p. 12535-12539
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Grüner, B.; Kugler, M.; El Anwar, S.; Holub, J.; Nekvinda, J.; Bavol, D.; Ruzicková, Z.; Pospisilová, K.; Fábry, M.; Král, V.; Brynda, J.; Rezácová, P.: Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. , ChemPlusChem 85 (2021), p. 352-363
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Krupp, Paul Ferdinand: Cryo-EM analysis of three macromolecular machines : RNA polymerase, ribosome, and E3 ubiquitin ligase. , Berlin, Freie Universität Berlin, Diss., 2021

Fröhlich, C.; Gama, J.A.; Harms, K.; Hirvonen, V.H.A.; Lund, B.A.; van der Kamp, M.W.; Johnsen, P.J.; Samuelsen, O.; Leiros, H.S.: Cryptic beta-Lactamase Evolution Is Driven by Low beta-Lactam Concentrations. , mSphere 6 (2021), p. e00108-21/1-18
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Chaoprasid, P.; Lukat, P.; Muhlen, S.; Heidler, T.; Gazdag, E.M.; Dong, S.; Bi, W.; Ruter, C.; Kirchenwitz, M.; Steffen, A.; Jansch, L.; Stradal, T.E.B.; Dersch, P.; Blankenfeldt, W.: Crystal structure of bacterial cytotoxic necrotizing factor CNF Y reveals molecular building blocks for intoxication. , The EMBO Journal 40 (2021), p. e105202/1-21
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Loch, J.I.; Imiolczyk, B.; Sliwiak, J.; Wantuch, A.; Bejger, M.; Gilski, M.; Jaskolski, M.: Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site. , Nature Communications 12 (2021), p. 6717/1-11
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Pastor, M.; Czapinska, H.; Helbrecht, I.; Krakowska, K.; Lutz, T.; Xu, S.Y.; Bochtler, M.: Crystal structures of the EVE-HNH endonuclease VcaM4I in the presence and absence of DNA. , Nucleic Acids Research 49 (2021), p. 1708-1723
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Moosmayer, D.; Hilpmann, A.; Hoffmann, J.; Schnirch, L.; Zimmermann, K.; Badock, V.; Furst, L.; Eaton, J.K.; Viswanathan, V.S.; Schreiber, S.L.; Gradl, S.; Hillig, R.C.: Crystal structures of the selenoprotein glutathione peroxidase 4 in its apo form and in complex with the covalently bound inhibitor ML162. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 237-248
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Iermak, I.; Degtjarik, O.; Havlickova, P.; Kuty, M.; Chaloupkova, R.; Damborsky, J.; Prudnikova, T.; Smatanova, I.: Description of Transport Tunnel in Haloalkane Dehalogenase Variant LinB D147C+L177C from Sphingobium japonicum. , Catalysts 11 (2021), p. 5/1-15
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Russ, N.; Schroder, M.; Berger, B.T.; Mandel, S.; Aydogan, Y.; Mauer, S.; Pohl, C.; Drewry, D.H.; Chaikuad, A.; Muller, S.; Knapp, S.: Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. , Journal of Medicinal Chemistry 64 (2021), p. 14358-14376
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Butera, R.; Wazynska, M.; Magiera-Mularz, K.; Plewka, J.; Musielak, B.; Surmiak, E.; Sala, D.; Kitel, R.; de Bruyn, M.; Nijman, H.W.; Elsinga, P.H.; Holak, T.A.; Dömling, A.: Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists. , ACS Medicinal Chemistry Letters 12 (2021), p. 768-773
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Röhm, S.; Berger, B.T.; Schröder, M.; Chatterjee, D.; Mathea, S.; Joerger, A.C.; Pinkas, D.M.; Bufton, J.C.; Tjaden, A.; Kovooru, L.; Kudolo, M.; Pohl, C.; Bullock, A.N.; Müller, S.; Laufer, S.; Knapp, S.: Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. , Journal of Medicinal Chemistry 64 (2021), p. 13451-13474
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Kim, R.Q.; Misra, M.; Gonzalez, A.; Tomaskovic, I.; Shin, D.; Schindelin, H.; Filippov, D.V.; Ovaa, H.; Dikic, I.; van der Heden van Noort, G.J.: Development of ADPribosyl Ubiquitin Analogues to Study Enzymes Involved in Legionella Infection. , Chemistry - A European Journal 27 (2021), p. 2506-2512
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Sharif, E.U.; Kalisiak, J.; Lawson, K.V.; Miles, D.H.; Newcomb, E.; Lindsey, E.A.; Rosen, B.R.; Debien, L.P.P.; Chen, A.; Zhao, X.; Young, S.W.; Walker, N.P.; Sträter, N.; Scaletti, E.R.; Jin, L.; Xu, G.; Leleti, M.R.; Powers, J.P.: Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors. , Journal of Medicinal Chemistry 64 (2021), p. 845-860
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Fushimi, M.; Buck, H.; Balbach, M.; Gorovyy, A.; Ferreira, J.; Rossetti, T.; Kaur, N.; Levin, L.R.; Buck, J.; Quast, J.; Van Den Heuvel, J.; Steegborn, C.; Finkin-Groner, E.; Kargman, S.; Michino, M.; Foley, M.A.; Miller, M.; Liverton, N.J.; Huggins, D.J.; Meinke, P.T.: Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10). , ACS Medicinal Chemistry Letters 12 (2021), p. 1283-1287
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Gradl, S.; Steuber, H.; Weiske, J.; Szewczyk, M.M.; Schmees, N.; Siegel, S.; Stoeckigt, D.; Christ, C.D.; Li, F.; Organ, S.; Abbey, M.; Kennedy, S.; Chau, I.; Trush, V.; Barsyte-Lovejoy, D.; Brown, P.J.; Vedadi, M.; Arrowsmith, C.; Husemann, M.; Badock, V.; Bauser, M.; Haegebarth, A.; Hartung, I.V.; Stresemann, C.: Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. , SLAS Discovery 26 (2021), p. 947-960
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Jílková, A.; Rubesova, P.; Fanfrlík, J.; Fajtova, P.; Rezáčová, P.; Brynda, J.; Lepsík, M.; Mertlíkova-Kaiserova, H.; Emal, C. D.; Renslo, A. R.; Roush, W. R.; Horn, M.; Caffrey, C. R.; Mares, M.: Druggable Hot Spots in the Schistosomiasis Cathepsin B1 Target Identified by Functional and Binding Mode Analysis of Potent Vinyl Sulfone Inhibitors. , ACS Infectious Diseases 7 (2021), p. 1077-1088
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Takenaka, M.; Takenaka, S.; Barthel, T.; Frink, B.; Haag, S.; Verbitskiy, D.; Oldenkott, B.; Schallenberg-Rüdinger, M.; Feiler, C.G.; Weiss, M.S.; Palm, G.J.; Weber, G.: DYW domain structures imply an unusual regulation principle in plant organellar RNA editing catalysis. , Nature Catalysis 4 (2021), p. 510-522
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Peplau, E.; De Rose, F.; Eichinger, A.; Reder, S.; Mittelhauser, M.; Scafetta, G.; Schwaiger, M.; Weber, W.A.; Bartolazzi, A.; D'Alessandria, C.; Skerra, A.: Effective rational humanization of a PASylated anti-galectin-3 Fab for the sensitive PET imaging of thyroid cancer in vivo. , Scientific Reports 11 (2021), p. 7358/1-18
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Kolyadenko, I.; Scherbakova, A.; Kovalev, K.; Gabdulkhakov, A.; Tishchenko, S.: Engineering the Catalytic Properties of Two-Domain Laccase from Streptomyces griseoflavus Ac-993. , International Journal of Molecular Sciences 23 (2021), p. 65/1-18
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Carter, D.M.; Specker, E.; Malecki, P.H.; Przygodda, J.; Dudaniec, K.; Weiss, M.S.; Heinemann, U.; Nazaré, M.; Gohlke, U.: Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer. , Journal of Medicinal Chemistry 64 (2021), p. 14266-14282
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Peplau, Emanuel: Entwicklung eines rekombinanten Fab-Fragments zur in vivo Immun- PET Bildgebung des Schilddrüsenkarzinoms.2. , TU München, 2021

Lan, H.; Abualrous, E.T.; Sticht, J.; Fernandez, L.M.A.; Werk, T.; Weise, C.; Ballaschk, M.; Schmieder, P.; Loll, B.; Freund, C.: Exchange catalysis by tapasin exploits conserved and allele-specific features of MHC-I molecules. , Nature Communications 12 (2021), p. 4236/1-13
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Telzerow, A.; Paris, J.; Hakansson, M.; Gonzalez-Sabin, J.; Rios-Lombardia, N.; Gröger, H.; Moris, F.; Schurmann, M.; Schwab, H.; Steiner, K.: Expanding the Toolbox of R-Selective Amine Transaminases by Identification and Characterization of New Members. , ChemBioChem 22 (2021), p. 1232-1242
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Wiese, J.G.; Shanmugaratnam, S.; Höcker, B.: Extension of a de novo TIM barrel with a rationally designed secondary structure element. , Protein Science 30 (2021), p. 982-989
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Kröger, P.; Shanmugaratnam, S.; Scheib, U.; Höcker, B.: Fine-tuning spermidine binding modes in the putrescine binding protein PotF. , Journal of Biological Chemistry 297 (2021), p. 101419/1-12
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Oebbeke, M.; Siefker, C.; Wagner, B.; Heine, A.; Klebe, G.: Fragment Binding to Kinase Hinge: If Charge Distribution and Local pKa Shifts Mislead Popular Bioisosterism Concepts. , Angewandte Chemie - International Edition 60 (2021), p. 252-258
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Oebbeke, Matthias: Fragment-basierte Leitstruktursuche am Beispiel der Proteinkinase A. , Uni Marburg, 2021

Metz, A.; Wollenhaupt, J.; Glöckner, S.; Messini, N.; Huber, S.; Barthel, T.; Merabet, A.; Gerber, H.D.; Heine, A.; Klebe, G.; Weiss, M.S.: Frag4Lead: Growing crystallographic fragment hits by catalog using fragment-guided template docking. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 1168-1182
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Sandner, A.; Ngo, K.; Schiebel, J.; Pizarroso, A.I.M.; Schmidt, L.; Wenzel, B.; Steinmetzer, T.; Ostermann, A.; Heine, A.; Klebe, G.: How a Fragment Draws Attention to Selectivity Discriminating Features between the Related Proteases Trypsin and Thrombin. , Journal of Medicinal Chemistry 64 (2021), p. 1611-1625
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Jansa, J.; Jorda, R.; Skerlová, J.; Pachl, P.; Perina, M.; Reznícková, E.; Heger, T.; Gucký, T.; Rezácová, P.; Lycka, A.; Krystof, V.: Imidazo[1,2-c]pyrimidin-5(6H)-one inhibitors of CDK2: Synthesis, kinase inhibition and co-crystal structure. , European Journal of Medicinal Chemistry 216 (2021), p. 113309/1-12
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Banas, A.M.; Bocian-Ostrzycka, K.M.; Dunin-Horkawicz, S.; Ludwiczak, J.; Wilk, P.; Orlikowska, M.; Wyszynska, A.; D¿browska, M.; Plichta, M.; Spodzieja, M.; Polanska, M.A.; Malinowska, A.; Jagusztyn-Krynicka, E.K.: Interplay between DsbA1, DsbA2 and C8J_1298 Periplasmic Oxidoreductases of Campylobacter jejuni and Their Impact on Bacterial Physiology and Pathogenesis. , International Journal of Molecular Sciences 22 (2021), p. 13451/1-37
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Chlastáková, A.; Kotál, J.; Beránková, Z.; áková, B.; Langhansová, H.; Prudnikova, T.; Ederová, M.; Kutá Smatanová, I.; Kotsyfakis, M.: Iripin-3, a New Salivary Protein Isolated From Ixodes ricinus Ticks, Displays Immunomodulatory and Anti-Hemostatic Properties In Vitro. , Frontiers in Immunology 12 (2021), p. 626200/1-20
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Smola, M.; Gutten, O.; Dejmek, M.; Kozisek, M.; Evangelidis, T.; Tehrani, Z.A.; Novotna, B.; Nencka, R.; Birkus, G.; Rulisek, L.; Boura, E.: Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein. , Angewandte Chemie - International Edition 60 (2021), p. 10172-10178
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Absmeier, E.; Vester, K.; Ghane, T.; Burakovskiy, D.; Milon, P.; Imhof, P.; Rodnina, M.V.; Santos, K.F.; Wahl, M.C.: Long-range allostery mediates cooperative adenine nucleotide binding by the Ski2-like RNA helicase Brr2. , Journal of Biological Chemistry 297 (2021), p. 100829/1-19
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Kreibich, Julian: Mechanistic insights into carbon monoxide and CoA binding at the Ni,Ni-[4Fe-4S] active site of the acetyl-CoA synthase from Carboxydothermus hydrogenoformans. , Berlin, Humboldt Universität, Diss., 2021

Kotál, J.; Busa, M.; Urbanová, V.; Rezácová, P.; Chmelar, J.; Langhansová, H.; Sojka, D.; Mares, M.; Kotsyfakis, M.: Mialostatin, a novel midgut cystatin from ixodes ricinus ticks: Crystal structure and regulation of host blood digestion. , International Journal of Molecular Sciences 22 (2021), p. 5371/1-18
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Maj, P.; Jarmula, A.; Wilk, P.; Prokopowicz, M.; Rypniewski, W; Zielinski, Z.; Dowiercial, A.; Bzowska, A.; Rode, W.: Molecular Mechanism of Thymidylate Synthase Inhibition by N⁴-Hydroxy-dCMP in View of Spectrophotometric and Crystallographic Studies. , International Journal of Molecular Sciences 22 (2021), p. 4758/1-17
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Badran, Mohammed: Mutational Studies on 17β-HSD14, Serial Synchrotron X-ray Crystallography, Solubility Enhancement using Cyclodextrins and Fragment-Based Drug Discovery Multiple Blocks to Pave the Road of Drug Design. , Dissertation, Marburg, Philipps-Universität Marburg, 2021

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Minniberger, Sonja: Structural analysis of ion permeation in a non-selective channel mimicking the AMPA receptor. , Berlin, Humboldt Universität, Diss., 2021

Linhares, N.D.; Wilk, P.; Wator, E.; Tostes, M.A.; Weiss, M.S.; Pena, S.D. J.: Structural analysis of new compound heterozygous variants in PEPD gene identified in a patient with Prolidase Deficiency diagnosed by exome sequencing. , Genetics and Molecular Biology 44 (2021), p. e20200393/1-12
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Hoffmann, Gregor: Structural and biochemical analysis of the RicAFT complex. , Uni Marburg, 2021

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Blersch, Katharina: Structural and functional characterisation of tRNA modifying enzymes. , Uni Göttingen, 2021

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Kumar, M.; Padala, P.; Fahoum, J.; Hassouna, F.; Tsaban, T.; Zoltsman, G.; Banerjee, S.; Cohen-Kfir, E.; Dessau, M.; Rosenzweig, R.; Isupov, M.N.; Schueler-Furman, O.; Wiener, R.: Structural basis for UFM1 transfer from UBA5 to UFC1. , Nature Communications 12 (2021), p. 5708/1-13
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Zyla, E.; Musielak, B.; Holak, T.A.; Dubin, G.: Structural Characterization of a Macrocyclic Peptide Modulator of the PD-1/PD-L1 Immune Checkpoint Axis. , Molecules (Basel) 26 (2021), p. 4848/1-9
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Hejdánek, J.; Radilová, K.; Pachl, P.; Hodek, J.; Machara, A.; Weber, J.; Rezácová, P.; Konvalinka, J.; Kozísek, M.: Structural characterization of the interaction between the C-terminal domain of the influenza polymerase PA subunit and an optimized small peptide inhibitor. , Antiviral Research 185 (2021), p. 104971/1-7
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Dostál, J.; Brynda, J.; Vanková, L.; Zia, S.R.; Pichová, I.; Heidingsfeld, O.; Lepsík, M.: Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis. , Journal of Enzyme Inhibition and Medicinal Chemistry 36 (2021), p. 914-921
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Bujacz, A.; Rum, J.; Rutkiewicz, M.; Pietrzyk-Brzezinska, A. J.; Bujacz, G.: Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6. , Materials 14 (2021), p. 3351/1-19
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Soltysova, M.; Sieglova, I.; Fabry, M.; Brynda, J.; Skerlova, J.; Rezacova, P.: Structural insight into DNA recognition by bacterial transcriptional regulators of the SorC/DeoR family. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 1411-1424
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Blersch, K.F.; Burchert, J.P.; August, S.C.; Welp, L.; Neumann, P.; Koster, S.; Urlaub, H.; Ficner, R.: Structural model of the M7G46 Methyltransferase TrmB in complex with tRNA. , RNA Biology 18 (2021), p. 2466-2479
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Bauder, M.; Meyners, C.; Purder, P.L.; Merz, S.; Sugiarto, W.O.; Voll, A.M.; Heymann, T.; Hausch, F.: Structure-Based Design of High-Affinity Macrocyclic FKBP51 Inhibitors. , Journal of Medicinal Chemistry 64 (2021), p. 3320–3349
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Pfahler, Julian: Strukturelle und funktionelle Untersuchungen der humanen Proteine DBC1, PARP1 und Sirt1 sowie ihrer Interaktionen. , Universität Bayreuth, 2021

Mantoni, F.; Scribani Rossi, C.; Paiardini, A.; Di Matteo, A.; Cappellacci, L.; Petrelli, R.; Ricciutelli, M.; Paone, A.; Cutruzzola, F.; Giardina, G.; Rinaldo, S.: Studying GGDEF Domain in the Act: Minimize Conformational Frustration to Prevent Artefacts. , Life (Basel) 11 (2021), p. 31/1-13
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Scaletti, E.; Huschmann, F.U.; Mueller, U.; Weiss, M.S.; Straeter, N.: Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives. , Purinergic Signalling 17 (2021), p. 693–704
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Dalwani, S.; Lampela, O.; Leprovost, P.; Schmitz, W.; Juffer, A.H.; Wierenga, R.K.; Venkatesan, R.: Substrate specificity and conformational flexibility properties of the Mycobacterium tuberculosis beta-oxidation trifunctional enzyme. , Journal of Structural Biology 213 (2021), p. 107776-107776
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Reiberger, R.; Radilová, K.; Kral, M.; Zima, V.; Majer, P.; Brynda, J.; Dracínsky, M.; Konvalinka, J.; Kozisek, M.; Machara, A.: Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors. , International Journal of Molecular Sciences 22 (2021), p. 7735/1-28
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Huhmann, S.; Nyakatura, E.K.; Rohrhofer, A.; Moschner, J.; Schmidt, B.; Eichler, J.; Roth, C.; Koksch, B.: Systematic Evaluation of Fluorination as Modification for Peptide-Based Fusion Inhibitors against HIV-1 Infection. , ChemBioChem 22 (2021), p. 3443-3451
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Nguyen, D.; Xie, X.; Jakobi, S.; Terwesten, F.; Metz, A.; Nguyen, T.X.P.; Palchykov, V.A.; Heine, A.; Reuter, K.; Klebe, G.: Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. , ACS Chemical Biology 16 (2021), p. 1090-1098
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Hinder, Lukas: Targeting ferroptosis for neuroprotection: Novel diphenylamine compounds targeting mitochondrial pathways of oxidative cell death. , Uni Marburg, 2021

Muszak, D.; Surmiak, E.; Plewka, J.; Magiera-Mularz, K.; Kocik-Krol, J.; Musielak, B.; Sala, D.; Kitel, R.; Stec, M.; Weglarczyk, K.; Siedlar, M.; Dömling, A.; Skalniak, L.; Holak, T.: Terphenyl-Based Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 Protein-Protein Interaction. , Journal of Medicinal Chemistry 64 (2021), p. 11614-11636
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Osorio-Valeriano, M.; Altegoer, F.; Das, C.K.; Steinchen, W.; Panis, G.; Connolley, L.; Giacomelli, G.; Feddersen, H.; Corrales-Guerrero, L.; Giammarinaro, P.I.; Hanssmann, J.; Bramkamp, M.; Viollier, P.H.; Murray, S.; Schafer, L.V.; Bange, G.; Thanbichler, M.: The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes. , Molecular Cell 81 (2021), p. 3992/1-27
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Hjorleifsson, J.G.; Helland, R.; Magnusdottir, M.; Asgeirsson, B.: The high catalytic rate of the cold-active Vibrio alkaline phosphatase requires a hydrogen bonding network involving a large interface loop. , FEBS Open Bio 11 (2021), p. 173-184
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Werner, N.; Werten, S.; Hoppen, J.; Palm, G.J.; Göttfert, M.; Hinrichs, W.: The induction mechanism of the flavonoid-responsive regulator FrrA. , FEBS Journal 289 (2021), p. 507-518
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Schmidt, T.G.M.; Eichinger, A.; Schneider, M.; Bonet, L.; Carl, U.; Karthaus, D.; Theobald, I.; Skerra, A.: The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide. , Journal of Molecular Biology : jmb 433 (2021), p. 166893/1-20
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Andrii Mazur, A.; Prudnikova, T.; Grinkevich, P.; Mesters, R.J.; Mrazova, D.; Chaloupkova, R.; Damborsky, J.; Kuty, M.; Kolenko, P.; Ivana Kuta Smatanova, I.: The tetrameric structure of the novel haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2. , Acta Crystallographica Section D - Structural biology 77 (2021), p. 347-356
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Fitzian, K.; Brückner, A.; Brohée, L.; Zech, R.; Antoni, C.; Kiontke, S.; Gasper, R.; Linard Matos, A.L.; Beel, S.; Wilhelm, S.; Gerke, V.; Ungermann, C.; Nellist, M.; Raunser, S.; Demetriades, C.; Oeckinghaus, A.; Kümmel, D.: TSC1 binding to lysosomal PIPs is required for TSC complex translocation and mTORC1 regulation. , Molecular Cell 81 (2021), p. 2705-2721.e8
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Wienen-Schmidt, B.; Oebbeke, M.; Ngo, K.; Heine, A.; Klebe, G.: Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses. , ChemMedChem 16 (2021), p. 292-300
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Nguyen, D.; Abdullin, D.; Heubach, C.A.; Pfaffeneder, T.; Nguyen, A.; Heine, A.; Reuter, K.; Diederich, F.; Schiemann, O.; Klebe, G.: Unraveling a Ligand-Induced Twist of a Homodimeric Enzyme by Pulsed Electron-Electron Double Resonance. , Angewandte Chemie - International Edition 60 (2021), p. 23419-23426
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Peters, A.; Herrmann, E.; Cornelissen, N.V.; Klöcker, N.; Kümmel, D.; Rentmeister, A.: Visible-Light Removable Photocaging Groups Accepted by MjMAT Variant: Structural Basis and Compatibility with DNA and RNA Methyltransferases. , ChemBioChem 23 (2021), p. e202100437/1-8
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Sandner, A.; Ngo, K.; Sager, C.P.; Scheer, F.; Daude, M.; Diederich, W.E.; Heine, A.; Klebe, G.: Which Properties Allow Ligands to Open and Bind to the Transient Binding Pocket of Human Aldose Reductase? , Biomolecules 11 (2021), p. 1837/1-21
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Wollenhaupt, J.; Barthel, T.; Lima, G.M.A.; Metz, A.; Wallacher, D.; Jagudin, E.; Huschmann, F.U.; Hauß, T.; Feiler, C.G.; Gerlach, M.; Hellmig, M.; Förster, R.; Steffien, M.; Heine, A.; Klebe, G.; Mueller, U.; Weiss, M.S.: Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin. , Journal of visualized experiments : JoVE 169 (2021), p. e6220/1-19 + video
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Scheithauer, L.; Thiem, S.; Schmelz, S.; Dellmann, A.; Bussow, K.; Brouwer, R.M.H.J.; Ünal, C.M.; Blankenfeldt, W.; Steinert, M.: Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation. , Cellular Microbiology 23 (2021), p. e13313/1-15
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Pohl, P.; Joshi, R.; Petrvalska, O.; Obsil, T.; Obsilova, V.: 14-3-3-protein regulates Nedd4-2 by modulating interactions between HECT and WW domains. , Communications Biology 4 (2021), p. 899/1-15
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Dayal, N.; Reznícková, E.; Hernandez, D.E.; Perina, M.; Torregrosa-Allen, S.; Elzey, B.D.; Skerlová, J.; Ajani, H.; Djukic, S.; Vojácková, V.; Lepsík, M.; Rezácová, P.; Krystof, V.; Jorda, R.; Sintim, H.O.: 3 H-Pyrazolo[4,3- f]quinoline-Based Kinase Inhibitors Inhibit the Proliferation of Acute Myeloid Leukemia Cells in Vivo. , Journal of Medicinal Chemistry 64 (2021), p. 10981-10996
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2020

Picado, A.; Chaikuad, A.; Wells, C.I.; Shrestha, S.; Zuercher, W.J.; Pickett, J.E.; Kwarcinski, F.E.; Sinha, P.; de Silva, C.S.; Zutshi, R.; Liu, S.; Kannan, N.; Knapp, S.; Drewry, D.H.; Willson, T.M.: A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. , Journal of Medicinal Chemistry 63 (2020), p. 14626-14646
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Glöckner, S.; Heine, A.; Klebe, G.: A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. , Biomolecules 10 (2020), p. 518/1-11
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Sanchez-Vallet, A.; Tian, H.; Rodriguez-Moreno, L.; Valkenburg, D.J.; Saleem-Batcha, R.; Wawra, S.; Kombrink, A.; Verhage, L.; de Jonge, R.; van Esse, H.P.; Zuccaro, A.; Croll, D.; Mesters, J.R.; Thomma, B.P.H.J.: A secreted LysM effector protects fungal hyphae through chitin-dependent homodimer polymerization. , PLoS Pathogens 16 (2020), p. e1008652/1-21
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Sommer, C.A.; Eichinger, A.; Skerra, A.: A Tetrahedral Boronic Acid Diester Formed by an Unnatural Amino Acid in the Ligand Pocket of an Engineered Lipocalin. , ChemBioChem 21 (2020), p. 469-472
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Brangulis, K.; Akopjana, I.; Petrovskis, I.; Kazaks, A.; Zelencova, D.; Jekabsons, A.; Jaudzems, K.; Tars, K.: BBE31 from the Lyme disease agent Borrelia burgdorferi, known to play an important role in successful colonization of the mammalian host, shows the ability to bind glutathione. , Biochimica et Biophysica Acta - General Subjects 1864 (2020), p. 129499/1-
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Houstecká, R.; Hadzima, M.; Fanfrlík, J.; Brynda, J.; Pallová, L.; Hánová, I.; Mertlíková-Kaiserová, H.; Lepsík, M.; Horn, M.; Smrcina, M.; Majer, P.; Mares, M.: Biomimetic Macrocyclic Inhibitors of Human Cathepsin D: Structure-Activity Relationship and Binding Mode Analysis. , Journal of Medicinal Chemistry 63 (2020), p. 1576-1596
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Mortier, J.; Friberg, A.; Badock, V.; Moosmayer, D.; Schroeder, J.; Steigemann, P.; Siegel, F.; Gradl, S.; Bauser, M.; Hillig, R.C.; Briem, H.; Eis, K.; Bader, B.; Nguyen, D.; Christ, C.D.: Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. , ChemMedChem 15 (2020), p. 827-832
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Glöckner, S.; Ngo, K.; Sager, C.P.; Hüfner-Wulsdorf, T.; Heine, A.; Klebe, G.: Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. , ACS Chemical Biology 15 (2020), p. 675-685
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Landova, B.; Silhan, J.: Conformational changes of DNA repair glycosylase MutM triggered by DNA binding. , FEBS Letters 594 (2020), p. 3032-3044
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Kleinboelting, S.; Miehling, J.; Steegborn, C.: Crystal structure and enzymatic characterization of the putative adenylyl cyclase HpAC1 from Hippeastrum reveal dominant triphosphatase activity. , Journal of Structural Biology 212 (2020), p. 107649/1-6
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Linder, J.; Hupfeld, E.; Weyand, M.; Steegborn, C.; Moniot, S.: Crystal structure of a class III adenylyl cyclase-like ATP-binding protein from Pseudomonas aeruginosa. , Journal of Structural Biology 211 (2020), p. 107534/1-5
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D'Andrea, E.D.; Roske, Y.; Oliveira, G.A.P.; Cremer, N.; Diehl, A.; Schmieder, P.; Heinemann, U.; Oschkinat, H.; Pires, J.R.: Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi. , Journal of Structural Biology 211 (2020), p. 107536/1-12
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Bahat, Y.; Alter, J.; Dessau, M.: Crystal structure of tomato spotted wilt virus G N reveals a dimer complex formation and evolutionary link to animal-infecting viruses. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 117 (2020), p. 26237
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Lekontseva, N.; Mikhailina, A.; Fando, M.; Kravchenko, O.; Balobanov, V.; Tishchenko, S.; Nikulin, A.: Crystal structures and RNA-binding properties of Lsm proteins from archaea Sulfolobus acidocaldarius and Methanococcus vannielii: Similarity and difference of the U-binding mode. , Biochimie 175 (2020), p. 1-12
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Hillisch, A.; Gericke, K.M.; Allerheiligen, S.; Roehrig, S.; Schaefer, M.; Tersteegen, A.; Schulz, S.; Lienau, P.; Gnoth, M.; Puetter, V.; Hillig, R.C.; Heitmeier, S.: Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. , Journal of Medicinal Chemistry 63 (2020), p. 12574-12594
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Barone, M.; Müller, M.; Chiha, S.; Ren, J.; Albat, D.; Soicke, A.; Dohmen, S.; Klein, M.; Bruns, J.; van Dinther, M.; Opitz, R.; Lindemann, P.; Beerbaum, M.; Motzny, K.; Roske, Y.; Schmieder, P.; Volkmer, R.; Nazare, M.; Heinemann, U.; Oschkinat, H.; Ten Dijke, P.; Schmalz, H.G.; Kühne, R.: Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 117 (2020), p. 29684-29690
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Magari, Francesca: The Power of Fragments : FBLD approach to investigate protein structures. , Marburg, Philipps-Universität, Diss., 2020

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Glöckner, Steffen: Thermodynamic, Kinetic and Crystallographic Investigations of Benzenesulfonamides as Ligands of Human Carbonic Anhydrase II. , Philipps-Universität Marburg Dissertation, 2020
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Rümnieks, J.; Lieknina, I.; Kalnins, G.; Sisovs, M.; Akopjana, I.; Bogans, J.; Tars, K.: Three-dimensional structure of 22 uncultured ssRNA bacteriophages: Flexibility of the coat protein fold and variations in particle shapes. , Science Advances 6 (2020), p. eabc0023/1-10
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Gerlach, David Leon: Wall teichoic acid variation in Staphylococcus aureus. , Tübingen, Eberhard Karls Universität, Diss., 2020

Eistrikh-Geller, P.A.; Rubinsky, S.V.; Prokofev, I.I.; Gabdoulkhakov, A.G.; Mironov, A.S.; Lashkov, A.A.: X-Ray Structure and Molecular Dynamics Study of Uridine Phosphorylase from Vibrio cholerae in Complex with 2,2'-Anhydrouridine. , Crystallography Reports 65 (2020), p. 269-277
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2019

Weber, A.M.; Kaiser, J.; Ziegler, T.; Pilsl, S.; Renzl, C.; Sixt, L.; Pietruschka, G.; Moniot, S.; Kakoti, A.; Juraschitz, M.; Schrottke, S.; Lledo Bryant, L.; Steegborn, C.; Bittl, R.; Mayer, G.; Möglich, A.: A blue light receptor that mediates RNA binding and translational regulation. , Nature Chemical Biology 15 (2019), p. 1085-1092
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Skalniak, L.; Twarda-Clapa, A.; Neochoritis, C.G.; Surmiak, E.; Machula, M.; Wisniewska, A.; Labuzek, B.; Ali, A.M.; Krzanik, S.; Dubin, G.; Groves, M.; Dömling, A.; Holak, T.A.: A fluorinated indole-based MDM2 antagonist selectively inhibits the growth of p53wt osteosarcoma cells. , FEBS Journal 286 (2019), p. 1360-1374
doi: 10.1111/febs.14774

Rutkiewicz, M.; Bujacz, A.; Wanarska, M.; Wierzbicka-Wos, A.; Cieslinski, H.: Active Site Architecture and Reaction Mechanism Determination of Cold Adapted beta-d-galactosidase from Arthrobacter sp. 32cB. , International Journal of Molecular Sciences 20 (2019), p. 4301/1-17
doi: 10.3390/ijms20174301

Schaefer, M.; Buchmueller, A.; Dittmer, F.; Straßburger, J.; Wilmen, A.: Allosteric Inhibition as a New Mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated Form of Coagulation Factor XI. , Journal of Molecular Biology : jmb 431 (2019), p. 4817-4833
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Feiler, C.G.; Wallacher, D.; Weiss, M.S.: An All-in-one Sample Holder for Macromolecular X-ray Crystallography with Minimal Background Scattering. , Journal of visualized experiments : JoVE 149 (2019), p. e59722/1-10 + video
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Griese, J.J.; Kositzki, R.; Haumann, M.; Högbom, M.: Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase. , Journal of Biological Inorganic Chemistry 24 (2019), p. 211-221
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Kumpula, E.P.; Lopez, A.J.; Tajedin, L.; Han, H.; Kursula, I.: Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation. , PLoS Biology 17 (2019), p. e3000315/1-28
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Adolph, Ramona S.: Biochemical and structural characterization of the regulation of human Sirtuin 1 by small molecules and proteins. , Bayreuth, Universität, Bachelor, 2019

Scheib, Ulrike: Biochemische und biophysikalische Charakterisierung von Rhodopsin-Guanylylzyklasen. , Berlin, Humboldt Universität, Diss., 2019

Piotrowski, Y.; Berg, K.; Klebl, D.P.; Leiros, I.; Larsen, A.N.: Characterization of an intertidal zone metagenome oligoribonuclease and the role of the intermolecular disulfide bond for homodimer formation and nuclease activity. , FEBS Open Bio 9 (2019), p. 1674-1688
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Banchenko, S.; Arumughan, A.; Petrovi¿, S.; Schwefel, D.; Wanker, E.E.; Roske, Y.; Heinemann, U.: Common Mode of Remodeling AAA ATPases p97/CDC48 by Their Disassembling Cofactors ASPL/PUX1. , Structure 27 (2019), p. 1830-1841.e3
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Wosicki, S.; Gilski, M.; Zabranska, H.; Pichova, I.; Jaskolski, M.: Comparison of a retroviral protease in monomeric and dimeric states. , Acta Crystallographica Section D - Structural biology 75 (2019), p. 904-917
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Müller, J.; Kirschner, R.; Geyer, A.; Klebe, G.: Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage. , ACS Omega 4 (2019), p. 775–784
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Horova, V.; Lyoo, H.; Rózycki, B.; Chalupska, D.; Smola, M.; Humpolickova, J.; Strating, J. R. P. M.; Kuppeveld, F. J. M. van; Boura, E.; Klima, M.: Convergent evolution in the mechanisms of ACBD3 recruitment to picornavirus replication sites. , PLoS Pathogens 15 (2019), p. e1007962/1-28
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Brangulis, K.; Akopjana, I.; Petrovskis, I.; Kazaks, A.; Tars, K.: Crystal structure of Borrelia burgdorferi outer surface protein BBA69 in comparison to the paralogous protein CspA. , Ticks and Tick-borne Diseases 10 (2019), p. 1135-1141
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Zak, K.M.; Kalinska, M.; Wator, E.; Kuska, K.; Krutyholowa, R.; Dubin, G.; Popowicz, G.M.; Grudnik, P.: Crystal Structure of Kluyveromyces lactis Glucokinase (KlGlk1). , International Journal of Molecular Sciences 20 (2019), p. 4821/1-10
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Rembacz, K.P.; Zrubek, K.M.; Golik, P.; Michalik, K.; Bogusz, J.; Wladyka, B.; Romanowska, M.; Dubin, G.: Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C). , Archives of Biochemistry and Biophysics 671 (2019), p. 1-7
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Slyvka, A.; Zagorskaite, E.; Czapinska, H.; Sasnauskas, G.; Bochtler, M.: Crystal structure of the EcoKMcrA N-terminal domain (NEco): recognition of modified cytosine bases without flipping. , Nucleic Acids Research 47 (2019), p. 11943-11955
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Brangulis, K.; Akopjana, I.; Kazaks, A.; Tars, K.: Crystal structure of the N-terminal domain of the major virulence factor BB0323 from the Lyme disease agent Borrelia burgdorferi. , Acta Crystallographica Section D - Structural biology 75 (2019), p. 825-830
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Grzechowiak, M.; Ruszkowski, M.; Sliwiak, J.; Szpotkowski, K.; Sikorski, M.; Jaskolski, M.: Crystal structures of plant inorganic pyrophosphatase, an enzyme with a moonlighting autoproteolytic activity. , Biochemical Journal 476 (2019), p. 2297-2319
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Prudnikova, T.; Kascakova, B.; Mesters, J.R.; Grinkevich, P.; Havlickova, P.; Mazur, A.; Shaposhnikova, A.; Chaloupkova, R.; Damborsky, J.; Kuty, M.; Smatanova, I.K.: Crystallization and Crystallographic Analysis of a Bradyrhizobium Elkanii USDA94 Haloalkane Dehalogenase Variant with an Eliminated Halide-Binding Site. , Crystals (Basel) 9 (2019), p. 375/1-12
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Fudim, R.; Szczepek, M.; Vierock, J.; Vogt, A.; Schmidt, A.; Kleinau, G.; Fischer, P.; Bartl, F.; Scheerer, P.; Hegemann, P.: Design of a light-gated proton channel based on the crystal structure of Coccomyxa rhodopsin. , Science Signaling 12 (2019), p. eaav4203/1-12
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Mucha, O.; Podkalicka, P.; Mikulski, M.; Barwacz, S.; Andrysiak, K.; Biela, A.; Mieczkowski, M.; Kachamakova-Trojanowska, N.; Ryszawy, D.; Bialas, A.; Szelazek, B.; Grudnik, P.; Majewska, E.; Michalik, K.; Jakubiec, K.; Bien, M.; Witkowska, N.; Gluza, K.; Ekonomiuk, D.; Sitarz, K.; Galezowski, M.; Brzózka, K.; Dubin, G.; Józkowicz, A.; Dulak, J.; Loboda, A.: Development and characterization of a new inhibitor of heme oxygenase activity for cancer treatment. , Archives of Biochemistry and Biophysics 671 (2019), p. 130-142
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Nicholls, T.J.; Spahr, H.; Jiang, S.; Siira, S.J.; Sharma, S.; Kauppila, J.H.K.; Jiang, M.; Rackham, O.; Chabes, A.; Falkenberg, M.; Filipovska, A.; Larsson, N.G.; Gustafsson, C.M: Dinucleotide Degradation by REXO2 Maintains Promoter Specificity in Mammalian Mitochondria. , Molecular Cell 76 (2019), p. 784-796
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Werner, S.; Mesch, S.; Hillig, R.C.; Ter Laak, A.; Klint, J.; Neagoe, I.; Laux-Biehlmann, A.; Dahllof, H.; Brauer, N.; Puetter, V.; Nubbemeyer, R.; Schulz, S.; Bairlein, M.; Zollner, T.M.; Steinmeyer, A.: Discovery and Characterization of the Potent and Selective P2X4 InhibitorN-[4-(3-Chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide (BAY-1797) and Structure-Guided Amelioration of Its CYP3A4 Induction Profile. , Journal of Medicinal Chemistry 62 (2019), p. 11194-11217
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Boutard, N.; Bialas, A.; Sabiniarz, A.; Guzik, P.; Banaszak, K.; Biela, A.; Bien, M.; Buda, A.; Bugaj, B.; Cieluch, E.; Cierpich, A.; Dudek, L.; Eggenweiler, H.M.; Fogt, J.; Gaik, M.; Gondela, A.; Jakubiec, K.; Jurzak, M.; Kitlinska, A.; Kowalczyk, P.; Kujawa, M.; Kwiecinska, K.; Les, M.; Lindemann, R.; Maciuszek, M.; Mikulski, M.; Niedziejko, P.; Obara, A.; Pawlik, H.; Rzymski, T.; Sieprawska-Lupa, M.; Sowinska, M.; Szeremeta-Spisak, J.; Stachowicz, A.; Tomczyk, M.M.; Wiklik, K.; Wloszczak, L.; Ziemianska, S.; Zarebski, A.; Brzozka, K.; Nowak, M.; Fabritius, C.H.: Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors. , ChemMedChem 14 (2019), p. 169-181
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Hillig, R.C.; Sautier, B.; Schroeder, J.; Moosmayer, D.; Hilpmann, A.; Stegmann, C.M.; Werbeck, N.D.; Briem, H.; Boemer, U.; Weiske, J.; Badock, V.; Mastouri, J.; Petersen, K.; Siemeister, G.; Kahmann, J.D.; Wegener, D.; Bohnke, N.; Eis, K.; Graham, K.; Wortmann, L.; von Nussbaum, F.; Bader, B.: Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 116 (2019), p. 2551-2560
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Hassaan, Engi: Do All Roads Really Lead to Rome? Learnings from Comparative Analysis using SPR, NMR, & X-Ray Crystallography to Optimize Fragment Screening in Drug Discovery. , Uni Marburg, 2019

Kasaragod, V.B.; Hausrat, T.J.; Schaefer, N.; Kuhn, M.; Christensen, N.R.; Tessmer, I.; Maric, H.M.; Madsen, K.L.; Sotriffer, C.; Villmann, C.; Kneussel, M.; Schindelin, H.: Elucidating the Molecular Basis for Inhibitory Neurotransmission Regulation by Artemisinins. , Neuron 101 (2019), p. 673-689
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Lorenzen, Jan: Enzymatic functionalization of bio based fatty acids and algae based triglycerides. , München, Technische Universität München, Diss., 2019

Anandapadamanaban, M.; Kyriakidis, N.C.; Csizmok, V.; Wallenhammar, A.; Espinosa, A.C.; Ahlner, A.; Round, A.R.; Trewhella, J.; Moche, M.; Wahren-Herlenius, M.; Sunnerhagen, M.: E3 ubiquitin-protein ligase TRIM21-mediated lysine capture by UBE2E1 reveals substrate-targeting mode of a ubiquitin-conjugating E2. , Journal of Biological Chemistry 294 (2019), p. 11404-11419
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Gurung, M.K.; Altermark, B.; Helland, R.; Smalas, A.O.; Raeder, I.L.U.: Features and structure of a cold active N-acetylneuraminate lyase. , PLoS One 14 (2019), p. e0217713/1-27
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Turco, E.; Witt, M.; Abert, C.; Bock-Bierbaum, T.; Su, M.Y.; Trapannone, R.; Sztacho, M.; Danieli, A.; Shi, X.; Zaffagnini, G.; Gamper, A.; Schuschnig, M.; Fracchiolla, D.; Bernklau, D.; Romanov, J.; Hartl, M.; Hurley, J.H.; Daumke, O.; Martens, S.: FIP200 Claw Domain Binding to p62 Promotes Autophagosome Formation at Ubiquitin Condensates. , Molecular Cell 74 (2019), p. 330-346
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De Bortoli, F.; Neumann, A.; Kotte, A.; Timmermann, B.; Schueler, T.; Wahl, M.C.; Loll, B.; Heyd, F.: Increased versatility despite reduced molecular complexity: evolution, structure and function of metazoan splicing factor PRPF39. , Nucleic Acids Research 47 (2019), p. 5867–5879
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Siemeister, G.; Mengel, A.; Fernandez-Montalvan, A.E.; Bone, W.; Schröder, J.; Zitzmann-Kolbe, S.; Briem, H.; Prechtl, S.; Holton, S.J.; Mönning, U.; von Ahsen, O.; Johanssen, S.; Cleve, A.; Putter, V.; Hitchcock, M.; von Nussbaum, F.; Brands, M.; Ziegelbauer, K.; Mumberg, D.: Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo. , Clinical Cancer Research 25 (2019), p. 1404-1414
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Wagner, A.; Le, T.A.; Brennich, M.; Klein, P.; Bader, N.; Diehl, E.; Paszek, D.; Weickhmann, A.K.; Dirdjaja, N.; Krauth-Siegel, R.L.; Engels, B.; Opatz, T.; Schindelin, H.; Hellmich, U.A.: Inhibitor-Induced Dimerization of an Essential Oxidoreductase from African Trypanosomes. , Angewandte Chemie 58 (2019), p. 3640-3644
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Ruggieri, F.; Campillo-Brocal, J.C.; Chen, S.; Humble, M.S.; Walse, B.; Logan, D.T.; Berglund, P.: Insight into the dimer dissociation process of the Chromobacterium violaceum (S)-selective amine transaminase. , Scientific Reports 9 (2019), p. 16946/1-15
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Rademacher, N.; Kuropka, B.; Kunde, S.-A.; Wahl, M.C.; Freund, C.; Shoichet, S.A.: Intramolecular domain dynamics regulate synaptic MAGUK protein interactions. , eLife 8 (2019), p. e41299/1-20
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Zima, V.; Albiñana Berenguer, C.; Rojíková, K.; Pokorná, J.; Pachl, P.; Rezacová, P.; Hudlicky, J.; Navrátil, V.; Majer, P.; Konvalinka, J.; Kozisek, M.; Machara, A.: Investigation of flexibility of neuraminidase 150-loop using tamiflu derivatives in influenza A viruses H1N1 and H5N1. , Bioorganic & Medicinal Chemistry 27 (2019), p. 2935-2947
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Gabdulkhakov, A.; Kolyadenko, I.; Kostareva, O.; Mikhaylina, A.; Oliveira, P.; Tamagnini, P.; Lisov, A.; Tishchenko, S.: Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase from Streptomyces griseoflavus Ac-993. , International Journal of Molecular Sciences 20 (2019), p. 3184/1-13
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Faltinek, L.; Fujdiarová, E.; Melicher, F.; Houser, J.; Ka¨áková, M.; Kondakov, N.; Kononov, L.; Parkan, K.; Vidal, S.; Wimmerová, M.: Lectin PLL3, a Novel Monomeric Member of the Seven-Bladed beta-Propeller Lectin Family. , Molecules (Basel) 24 (2019), p. 4540/1-20
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Grüner, B.; Brynda, J.; Das, V.; Sicha, V.; Stepankova, J.; Nekvinda, J.; Holub, J.; Pospisilova, K.; Fabry, M.; Pachtl, P.; Král, V.; Kugler, M.; Masek, V.; Medvedikova, M.; Matejková, S.; Nova, A.; Lisková, B.; Gurská, S.; Dzubák, P.; Hajdúch, M.; Rezácová, P.: Metallacarborane sulfamides: Unconventional, specific, and highly selective inhibitors of carbonic anhydrase IX. , Journal of Medicinal Chemistry 62 (2019), p. 9560-9575
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Cretu, Constantin: Molecular architecture of SF3B and the structural basis of splicing modulation. , Uni Göttingen, 2019

Nishimura, K.; Dioguardi, E.; Nishio, S.; Villa, A.; Han, L.; Matsuda, T.; Jovine, L.: Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility. , Nature Communications 10 (2019), p. 3086/1-15
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Badran, M.J.; Bertoletti, N.; Keils, A.; Heine, A.; Klebe, G.; Marchais-Oberwinkler, S.: Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14. , Journal of Steroid Biochemistry and Molecular Biology 189 (2019), p. 135-144
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Gardill, B.; Schmidt, K.; Muller, Y.A.: NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy. , Journal of Structural Biology 207 (2019), p. 169-182
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Fröhlich, C.; Sørum, V.; Thomassen, A.M.; Johnsen, P.J.; Leiros, H.-K.S.; Samuelsen, O.: OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs. , mSphere 4 (2019), p. e00024-19/1-15
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Gaur, V.; Zajko, W.; Nirwal, S.; Szlachcic, A.; Gapinska, M.; Nowotny, M.: Recognition and processing of branched DNA substrates by Slx1–Slx4 nuclease. , Nucleic Acids Research 47 (2019), p. 11681-11690
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Grave, K.; Lambert, W.; Berggren, G.; Griese, J.; Bennett, M.; Logan, D.; Högbom, M.: Redox-induced structural changes in the di-iron and di-manganese forms of Bacillus anthracis ribonucleotide reductase subunit NrdF suggest a mechanism for gating of radical access. , Journal of Biological Inorganic Chemistry 24 (2019), p. 849-861
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Kudryakova, I.V.; Gabdulkhakov, A.G.; Tishchenko, S.V.; Afoshin, A.S.; Vasilyeva, N.V.: Serine bacteriolytic protease L1 of Lysobacter sp. XL1 complexed with protease inhibitor AEBSF: features of interaction. , Process Biochemistry 80 (2019), p. 89-94
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Baumann, T.; Hauf, M.; Schildhauer, F.; Eberl, K.B.; Durkin, P.M.; Deniz, E.; Löffler, J.G.; Acevedo-Rocha, C.G.; Jaric, J.; Martins, B.M.; Dobbek, H.; Bredenbeck, J.; Budisa, N.: Site-Resolved Observation of Vibrational Energy Transfer Using a Genetically Encoded Ultrafast Heater. , Angewandte Chemie - International Edition 58 (2019), p. 2899-2903
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Sandner, A.; Hüfner-Wulsdorf, T.; Heine, A.; Steinmetzer, T.; Klebe, G.: Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. , Journal of Medicinal Chemistry 62 (2019), p. 9753-9771
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Werten, S.; Rustmeier, N.; Gemmer, M.; Virolle, M.; Hinrichs, W.: Structural and biochemical analysis of a phosin from Streptomyces chartreusis reveals a combined polyphosphate- and metal-binding fold. , FEBS Letters 593 (2019), p. 2019-2029
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Kirchweger, P.; Weiler, S.; Egerer-Sieber, C.; Blasl, A.-T.; Hoffmann, S.; Schmidt, C.; Sander, N.; Merker, D.; Gerlach, R.G.; Hensel, M.; Muller, Y.A.: Structural and functional characterization of SiiA, an auxiliary protein from the SPI4-encoded type 1 secretion system from Salmonella enterica. , Molecular Microbiology 112 (2019), p. 1403-1422
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Liaci, Antonio Manuel: Structural and Functional Studies on the Early Steps of Polyomavirus and Adenovirus Life Cycles. , Tübingen, Eberhard Karls Universität, Diss., 2019

You, W.; Zheng, W.; Weiss, S.; Chua, K.; Steegborn, C.: Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives. , Scientific Reports 9 (2019)
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Ge, C.; Xu, B.; Liang, B.; Lonnblom, E.; Lundstrom, S.L.; Zubarev, R.A.; Ayoglu, B.; Skogh, T.; Kastbom, A.; Malmstrom, V.; Klareskog, L.; Toes, R.E.M.; Rispens, T.; Dobritzsch, D.; Holmdahl, R.: Structural basis of cross-reactivity of anti-citrullinated protein antibodies. , Arthritis & Rheumatology 71 (2019), p. 210-221
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Ilina, Yulia: Structural characterization of Ni-containing metalloenzymes from archaea by X-ray crystallography and transmission electron microscopy. , Berlin, Humboldt Universität, Diss., 2019

Sporny, M.; Guez-Haddad, J.; Lebendiker, M.; Ulisse, V.; Volf, A.; Mim, C.; Isupov, M.; Opatowsky, Y.: Structural Evidence for an Octameric Ring Arrangement of SARM1. , Journal of Molecular Biology : jmb 431 (2019), p. 3591-3605
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Mukherjee, S.; B¿aszczyk, L.; Rypniewski, W.; Falschlunger, C.; Micura, R.; Murata, A.; Dohno, C.; Nakatani, K.; Kiliszek, A.: Structural insights into synthetic ligands targeting A-A pairs in disease-related CAG RNA repeats. , Nucleic Acids Research 47 (2019), p. 10906-10913
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Laitans, Janis: Structural investigations of carbonic anhydrases for design of specific inhibitors = Ogļskābes anhidrāžu strukturālie pētījumi specifisku inhibitoru dizainam. , Riga, Latvijas Universitāte, thesis, 2019

Barak, R.; Yom-Tov, G.; Guez-Haddad, J.; Gasri-Plotnitsky, L.; Maimon, R.; Cohen-Berkman, M.; McCarthy, A.A.; Perlson, E.; Henis-Korenblit, S.; Isupov, M.N.; Opatowsky, Y.: Structural Principles in Robo Activation and Auto-inhibition. , Cell 177 (2019), p. 1-14
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Driller, Ronja: Structural studies of biotechnologically relevant enzymes. , Berlin, Freie Universität Berlin, Diss., 2019

Faelber, K.; Dietrich, L.; Noel, J.K.; Wollweber, F.; Pfitzner, A.K.; Muhleip, A.; Sanchez, R.; Kudryashev, M.; Chiaruttini, N.; Lilie, H.; Schlegel, J.; Rosenbaum, E.; Hessenberger, M.; Matthaeus, C.; Kunz, S.; von der Malsburg, A.; Noe, F.; Roux, A.; van der Laan, M.; Kuhlbrandt, W.; Daumke, O.: Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. , Nature 571 (2019), p. 429-433
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Palm, G.J.; Reisky, L.; Boettcher, D.; Mueller, H.; Michels, E.A. P.; Walczak, M.C.; Berndt, L.; Weiss, M.S.; Bornscheuer, U.T.; Weber, G.: Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate. , Nature Communications 10 (2019), p. 1717/1-10
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Malecki, P.H.; Rueger, N.; Roatsch, M.; Krylova, O.; Link, A.; Jung, M.; Heinemann, U.; Weiss, M.S.: Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. , ChemMedChem 14 (2019), p. 1828-1839
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Witt, Marie: Structure-function study on FIP200 reveals mechanistic insights into selective autophagy. , Berlin, Freie Universität Berlin, Diss., 2019

Dubankova, A.; Horova, V.; Klima, M.; Boura, E.: Structures of kobuviral and siciniviral polymerases reveal conserved mechanism of picornaviral polymerase activation. , Journal of Structural Biology 208 (2019), p. 92-98
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Zahn, M.; Kurteva-Yaneva, N.; Schuster, J.; Krug, U.; Georgi, T.; Mueller, R.H.; Rohwerder, T.; Straeter, N.: Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle. , Journal of Molecular Biology : jmb 431 (2019), p. 2747-2761
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Weiß, Simon Christoph: Strukturelle Charakterisierung von katalytischen und regulatorischen Proteinen des Escherichia coli Maltose/Maltodextrin-Systems. , München, Technische Universität München, Diss., 2019

Puhlmann, Maximilian: Strukturelle und funktionelle Studien zur Inhibierung von Sirtuin 4. , Bayreuth, Universität, Master, 2019

Hafstrand, I.; Sayitoglu, E.C.; Apavaloaei, A.; Josey, B.J.; Sun, R.; Han, X.; Pellegrino, S.; Ozkazanc, D.; Potens, R.; Janssen, L.; Nilvebrant, J.; Nygren, P.A.; Sandalova, T.; Springer, S.; Georgoudaki, A.M.; Duru, A.D.; Achour, A.: Successive crystal structure snapshots suggest the basis for MHC class I peptide loading and editing by tapasin. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 116 (2019), p. 5055-5060
doi: 10.1073/pnas.1807656116

Wienen-Schmidt, B.; Schmidt, D.; Gerber, H.D.; Heine, A.; Gohlke, H.; Klebe, G.: Surprising Non-Additivity of Methyl Groups in Drug Kinase Interaction. , ACS Chemical Biology 14 (2019), p. 2585-2594
doi: 10.1021/acschembio.9b00476

Boutard, N.; Bialas, A.; Sabiniarz, A.; Guzik, P.; Banaszak, K.; Biela, A.; Bien, M.; Buda, A.; Bugaj, B.; Cieluch, E.; Cierpich, A.; Dudek, L.; Eggenweiler, H.M.; Fogt, J.; Gaik, M.; Gondela, A.; Jakubiec, K.; Jurzak, M.; Kitlinska, A.; Kowalczyk, P.; Kujawa, M.; Kwiecinska, K.; Les, M.; Lindemann, R.; Maciuszek, M.; Mikulski, M.; Niedziejko, P.; Obara, A.; Pawlik, H.; Rzymski, T.; Sieprawska-Lupa, M.; Sowinska, M.; Szeremeta-Spisak, J.; Stachowicz, A.; Tomczyk, M.M.; Wiklik, K.; Wloszczak, L.; Ziemianska, S.; Zarebski, A.; Brzozka, K.; Nowak, M.; Fabritius, C.H.: Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. , Bioorganic & Medicinal Chemistry Letters 29 (2019), p. 646-653
doi: 10.1016/j.bmcl.2018.12.034

Petrick, Joy Kristin: Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery. , Uni Marburg, 2019

Josts, I.; Veith, K.; Tidow, H.: Ternary structure of the outer membrane transporter FoxA with resolved signalling domain provides insights into TonB-mediated siderophore uptake. , eLife 8 (2019), p. e48528/1-15
doi: 10.7554/eLife.48528

Halsor, M.J.H.; Rothweiler, U.; Altermark, B.; Raeder, I.L.U.: The crystal structure of the N-acetylglucosamine 2-epimerase from Nostoc sp. KVJ10 reveals the true dimer. , Acta Crystallographica Section D - Structural biology 75 (2019), p. 90-100
doi: 10.1107/S2059798318017047

Lin, T.Y.; Abbassi, N.E.H.; Zakrzewski, K.; Chramiec-Glabik, A.; Jemiol-Rzeminska, M.; Rózycki, J.; Glatt, S.: The Elongator subunit Elp3 is a non-canonical tRNA acetyltransferase. , Nature Communications 10 (2019), p. 625/1-12
doi: 10.1038/s41467-019-08579-2

Kleiner, D.; Shmulevich, F.; Zarivach, R.; Shahar, A.; Sharon, M.; Ben-Nissan, G.; Bershtein, S.: The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase. , Journal of Molecular Biology : jmb 431 (2019), p. 4796-4816
doi: 10.1016/j.jmb.2019.09.003

Christian, S.; Merz, C.; Evans, L.; Gradl, S.; Seidel, H.; Friberg, A.; Eheim, A.; Lejeune, P.; Brzezinka, K.; Zimmermann, K.; Ferrara, S.; Meyer, H.; Lesche, R.; Stoeckigt, D.; Bauser, M.; Haegebarth, A.; Sykes, D.B.; Scadden, D.T.; Losman, J.-A.; Janzer, A.: The novel dihydroorotate dehydrogenase (DHODH) inhibitor BAY 2402234 triggers differentiation and is effective in the treatment of myeloid malignancies. , Leukemia 33 (2019), p. 2403–2415
doi: 10.1038/s41375-019-0461-5

Kotal, J.; Stergiou, N.; Busa, M.; Chlastakova, A.; Berankova, Z.; Rezacova, P.; Langhansova, H.; Schwarz, A.; Calvo, E.; Kopecky, J.; Mares, M.; Schmitt, E.; Chmelar, J.; Kotsyfakis, M.: The structure and function of Iristatin, a novel immunosuppressive tick salivary cystatin. , Cellular and Molecular Lilfe Sciences 76 (2019), p. 2003-2013
doi: 10.1007/s00018-019-03034-3

Adam, S.; Klein, A.; Surup, F.; Koehnke, J.: The structure of CgnJ, a domain of unknown function protein from the crocagin gene cluster. , Acta Crystallographica Section F - Structural Biology Communications 75 (2019), p. 205-211
doi: 10.1107/S2053230X19000712

Nikonov, O.; Kravchenko, O.; Nevskaya, N.; Stolboushkina, E.; Garber, M.; Nikonov, S.: The third structural switch in the archaeal translation initiation factor 2 (aIF2) molecule and its possible role in the initiation of GTP hydrolysis and the removal of aIF2 from the ribosome. , Acta Crystallographica Section D - Structural biology 75 (2019), p. 392-399
doi: 10.1107/S2059798319002304

Broeker, N.K.; Roske, Y.; Valleriani, A.; Stephan, M.S.; Andres, D.; Koetz, J.; Heinemann, U.; Barbirz, S.: Time-resolved DNA release from an O-antigen-specificSalmonellabacteriophage with a contractile tail. , Journal of Biological Chemistry 294 (2019), p. 11751-11761
doi: 10.1074/jbc.RA119.008133

Koval, T.; Svecova, L.; Ostergaard, L.H.; Skalova, T.; Duskova, J.; Hasek, J.; Kolenko, P.; Fejfarova, K.; Stransky, J.; Trundova, M.; Dohnalek, J.: Trp-His covalent adduct in bilirubin oxidase is crucial for effective bilirubin binding but has a minor role in electron transfer. , Scientific Reports 9 (2019), p. 13700/1-13
doi: 10.1038/s41598-019-50105-3

Szabo, E.; Wilk, P.; Nagy, B.; Zambo, Z.; Bui, D.; Weichsel, A.; Arjunan, P.; Torocsik, B.; Hubert, A.; Furey, W.; Montfort, W.R; Jordan, F.; Weiss, M.S.; Adam-Vizi, V.; Ambrus, A.: Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants. , Human Molecular Genetics 28 (2019), p. 3339–3354
doi: 10.1093/hmg/ddz177

Plank, Christina: Untersuchung von Dihydroisochinolinonderivaten als mögliche Inhibitoren von Hsc70. , Würzburg, Universität Würzburg, Diss., 2019

Ramm, Sascha: Untersuchungen zur Biosynthese von Omphalotin. , Berlin, Technische Universität, Diss., 2019

Bhattarai, S.; Pippel, J.; Meyer, A.; Freundlieb, M.; Schmies, C.; Abdelrahman, A.; Fiene, A.; Lee, S.; Zimmermann, H.; El-Tayeb, A.; Yegutkin, G.; Strater, N.; Muller, C.: X-Ray Co-Crystal Structure Guides the Way to Subnanomolar Competitive Ecto-5′-Nucleotidase (CD73) Inhibitors for Cancer Immunotherapy. , Advanced Therapeutics 2 (2019), p. 1900075/1-8
doi: 10.1002/adtp.201900075

Ilina, Y.; Lorent, C.; Katz, S.; Jeoung, J.H.; Shima, S.; Horch, M.; Zebger, I.; Dobbek, H.: X-ray Crystallography and Vibrational Spectroscopy Reveal the Key Determinants of Biocatalytic Dihydrogen Cycling by [NiFe] Hydrogenases. , Angewandte Chemie - International Edition 58 (2019), p. 18710-18714
doi: 10.1002/anie.201908258

Jorda, R.; Havlicek, L.; Sturc, A.; Tusková, D.; Daumová, L.; Alam, M.; Skerlová, J.; Nekardová, M.; Perina, M.; Pospísil, T.; Siroká, J.; Urbánek, L.; Pachl, P.; Rezacová, P.; Strnad, M.; Klener, P.; Krystof, V.: 3,5,7-Substituted Pyrazolo[4,3-d]pyrimidine Inhibitors of Cyclin-Dependent Kinases and Their Evaluation in Lymphoma Models. , Journal of Medicinal Chemistry 62 (2019), p. 4606-4623
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2018

Gowravaram, M.; Bonneau, F.; Kanaan, J.; Maciej, V.D.; Fiorini, F.; Raj, S.; Croquette, V.; Le Hir, H.; Chakrabarti, S.: A conserved structural element in the RNA helicase UPF1 regulates its catalytic activity in an isoform-specific manner. , Nucleic Acids Research 46 (2018), p. 2648-2659
doi: 10.1093/nar/gky040

Ahkter, S.; Lund, B.A.; Ismael, A.; Langer, M.; Isaksson, J.; Christopeit, T.; Leiros, H.-K.S.; Bayer, A.: A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. , European Journal of Medicinal Chemistry 145 (2018), p. 634-648
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Garg, A.; Heinemann, U.: A novel form of RNA double helix based on G·U and C·A+ wobble base pairing. , RNA 24 (2018), p. 209-218
doi: 10.1261/rna.064048.117

You, Weijin: Activation and inhibition of Sirt6 by small molecules. , Bayreuth, Universität, Diss., 2018

Telzerow, A.; Paris, J.; Hakansson, M.; Gonzalez-Sabin, J.; Rios-Lombardia, N.; Schurrmann, M.; Groger, H.; Kourist, R.; Schwab, H.; Steiner, K.: Amine Transaminase from Exophiala xenobiotica - Crystal Structure and Engineering of a Fold IV Transaminase that Naturally Converts Biaryl Ketones. , ACS Catalysis 9 (2018), p. 1140-1148
doi: 10.1021/acscatal.8b04524

Jeoung, J.H.; Dobbek, H.: ATP-dependent substrate reduction at an [Fe8S9] double-cubane cluster. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 115 (2018), p. 2994-2999
doi: 10.1073/pnas.1720489115

Domnik, Lilith: Biochemische und strukturelle Untersuchungen der Kohlenmonoxid-Dehydrogenasen CODH-II und CODH-IV aus Carboxydothermus hydrogenoformans. , Berlin, Humboldt Universität, Diss., 2018

Keller, Sebastian: Biosynthesis and utilization of structurally diverse norcobamide cofactors in the tetrachloroethene-respiring bacterium Sulfurospirillum multivorans. , Jena, Universität, Diss., 2018

Creon, A.; Josts, I.; Niebling, S.; Huse, N.; Tidow, H.: Conformation-specific detection of calmodulin binding using the unnatural amino acid p-azido-phenylalanine (AzF) as an IR-sensor. , Structural Dynamics 5 (2018), p. 064701/1-12
doi: 10.1063/1.5053466

Borchert, A.; Kalms, J.; Roth, S.; Rademacher, M.; Schmidt, A.; Holzhutter, H.; Kuhn, H.; Scheerer, P.: Crystal structure and functional characterization of selenocysteine-containing glutathione peroxidase 4 suggests an alternative mechanism of peroxide reduction. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1863 (2018), p. 1095-1107
doi: 10.1016/j.bbalip.2018.06.006

Döhler, Ch.; Zebisch, M.; Sträter, N.: Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3). , Scientific Reports 8 (2018), p. 10874
doi: 10.1038/s41598-018-28814-y

Tokarz, P.; Wisniewska, M.; Kaminski, M.; Dubin, G.; Grundnik, P.: Crystal structure of ADP-dependent glucokinase from Methanocaldococcus jannaschii in complex with 5-iodotubercidin reveals phosphoryl transfer mechanism. , Protein Science 27 (2018), p. 790-797
doi: 10.1002/pro.3377

Balaev, V.V.; Prokofev, I.I.; Gabdoulkhakov, A.G.; Betzel, C; Lashkov, A.A.: Crystal structure of pyrimidine-nucleoside phosphorylase from Bacillus subtilis in complex with imidazole and sulfate. , Acta Crystallographica Section F - Structural Biology Communications 74 (2018), p. 193-197
doi: 10.1107/S2053230X18002935

Czyrko, J.; Jaskolski, M.; Brzezinski, K.: Crystal Structure of S-adenosyl-L-homocysteine Hydrolase from Cytophaga hutchinsonii, a Case of Combination of Crystallographic and Non-crystallographic Symmetry. , Croatica Chemica Acta 91 (2018), p. 153-162
doi: 10.5562/cca3345

Pietrzyk-Brzezinska, A.J.; Absmeier, E.; Klauck, E.; Wen, Y.; Antelmann, H.; Wahl, M.C.: Crystal Structure of the Escherichia coli DExH-Box NTPase HrpB. , Structure 26 (2018), p. 1462-1473.e4
doi: 10.1016/j.str.2018.07.013

Twarda-Clapa, A.; Labuzek, B.; Krzemien, D.; Musielak, B.; Grudnik, P.; Dubin, G.; Holak, T.: Crystal structure of the FAS1 domain of the hyaluronic acid receptor stabilin-2. , Acta Crystallographica Section D - Structural biology 74 (2018), p. 695-701
doi: 10.1107/S2059798318007271

Brangulis, K.; Akopjana, I.; Petrovskis, I.; Kazaks, A.; Kraiczy, P.; Tars, K.: Crystal structure of the membrane attack complex assembly inhibitor BGA71 from the Lyme disease agent Borrelia bavariensis. , Scientific Reports 8 (2018), p. 11286
doi: 10.1038/s41598-018-29651-9

Schwemmlein, N.; Pippel, J.; Gazdag, E.M.; Blankenfeldt, W.: Crystal Structures of R-Type Bacteriocin Sheath and Tube Proteins CD1363 and CD1364 FromClostridium difficilein the Pre-assembled State. , Frontiers in Microbiology 9 (2018), p. 1750/1-15
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Szabo, E.; Mizsei, R.; Wilk, P.; Zambo, Z.; Torocsik, B.; Weiss, M.; Adam-Vizi, V.; Ambrus, A.: Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase. , Free Radical Biology and Medicine 124 (2018), p. 214-220
doi: 10.1016/j.freeradbiomed.2018.06.008

Dolot, R.; Lam, C.H.; Sierant, M.; Zhao, Q.; Liu, F.W.; Nawrot, B.; Egli, M.; Yang, X.: Crystal structures of thrombin in complex with chemically modified thrombin DNA aptamers reveal the origins of enhanced affinity. , Nucleic Acids Research 46 (2018), p. 4819-4830
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Doehler, C.; Zebisch, M.; Krinke, D.; Robitzki, A.; Straeter, N.: Crystallization of ectonucleotide phosphodiesterase/pyrophosphatase-3 and orientation of the SMB domains in the full-length ectodomain. , Acta Crystallographica Section F - Structural Biology Communications 74 (2018), p. 696-703
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Stefanic, Z.; Narczyk, M.; Mikleusevic, G.; Kazazic, S.; Bzowska, A.; Luic, M.: Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis. , Scientific Reports 8 (2018), p. 15427/1-13
doi: 10.1038/s41598-018-33723-1

Homburg, Constanze: Der ABC-Importer MalF1G1K12-E1 aus Lactobacillus casei BL23 - Biochemische Charakterisierung und Einblicke in die Regulation durch P-Ser46-HPr. , Berlin, Humboldt Universität, Diss., 2018

Schmidt, Karin: Design of an allosterically controlled serpin-based drug shuttle for the delivery of doxycycline and doxorubicin. , Erlangen, Nürnberg, Friedrich-Alexander-Universität Erlangen-Nürnberg, Diss., 2018

Williamson, A.; Grgic, M.; Leiros, H.-K.: DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases. , Nucleic Acids Research 1 (2018), p. gky622/8616–8629
doi: 10.1093/nar/gky622

Kozisek, M.; Navrátil, V.; Rojíková, K.; Pokorná, J.; Albiñana, C.; Pachl, P.; Zemanová, J.; Machara, A.; ¦ácha, P.; Hudlický, J.; Císarová, I.; Rezacova, P.; Konvalinka, J.: DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors. , Biochemical Journal 475 (2018), p. 3847-3860
doi: 10.1042/BCJ20180764

Pinto, A.; El Ali, Z.; Moniot, S.; Tamborini, L.; Steegborn, C.; Foresti, R.; De Micheli, C.: Effects of 3-Bromo-4,5-dihydroisoxazole Derivatives on Nrf2 Activation and Heme Oxygenase-1 Expression. , ChemistryOpen 7 (2018), p. 858-864
doi: 10.1002/open.201800185

Fleming, J.R.; Schupfner, M.; Busch, F.; Basle, A.; Ehrmann, A.; Sterner, R.; Mayans, O.: Evolutionary Morphing of Tryptophan Synthase: Functional Mechanisms for the Enzymatic Channeling of Indole. , Journal of Molecular Biology : jmb 430 (2018), p. 5066-5079
doi: 10.1016/j.jmb.2018.10.013

Stehling, O.; Jeoung, J.H.; Freibert, S.A.; Paul, V.D.; Banfer, S.; Niggemeyer, B.; Rosser, R.; Dobbek, H.; Lill, R.: Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 115 (2018), p. E9085-E9094
doi: 10.1073/pnas.1807762115

Jeanne Dit Fouque, K.; Lavanant, H.; Zirah, S.; Hegemann, J.D.; Fage, C.D.; Marahiel, M.A.; Rebuffat, S.; Afonso, C.: General rules of fragmentation evidencing lasso structures in CID and ETD. , Analyst 143 (2018), p. 1157-1170
doi: 10.1039/c7an02052j

Wiechert, Franziska: Heterologous expression of the antifungal protein AFP from Aspergillus giganteus in Escherichia Coli. , Berlin, Technische Universität, Bachelor, 2018

Plavsa, J.J.; Rezacova, P.; Kugler, M.; Pachl, P.; Brynda, J.; Voburka, Z.; Celic, A.; Petri, E.T; Skerlova, J.: In situ proteolysis of an N-terminal His tag with thrombin improves the diffraction quality of human aldo-keto reductase 1C3 crystals. , Acta Crystallographica Section F - Structural Biology Communications 74 (2018), p. 300-306
doi: 10.1107/S2053230X18005721

Gabdulkhakov, A.G.; Kostareva, O.S.; Kolyadenko, I.A.; Mikhaylina, A.O.; Trubitsina, L.I.; Tishchenko, S.V.: Incorporation of Copper Ions into T2/T3 Centers of Two-Domain Laccases. , Molecular Biology 52 (2018), p. 23–29
doi: 10.1134/S0026893318010041

Misson, L.; Burn, R.; Vit, A.; Hildesheim, J.; Beliaeva, M.A.; Blankenfeldt, W.; Seebeck, F.P.: Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD. , ACS Chemical Biology 13 (2018), p. 1333-1342
doi: 10.1021/acschembio.8b00127

Zahradnik, J.; Kolarova, L.; Parizkova, H.; Kolenko, P.; Schneider, B.: Interferons type II and their receptors R1 and R2 in fish species: Evolution, structure, and function. , Fish and Shellfish Immunology 79 (2018), p. 140-152
doi: 10.1016/j.fsi.2018.05.008

Zhang, J.; Grundstrom, C.; Brannstrom, K.; Iakovleva, I.; Lindberg, M.; Olofsson, A.; Andersson, P.L.; Sauer-Eriksson, A.E.: Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals. , Environmental Science & Technology 52 (2018), p. 11865-11874
doi: 10.1021/acs.est.8b03581

Wollenhaupt, J.; Henning, L.M.; Sticht, J.; Becke, C.; Freund, C.; Santos, K.F.; Wahl, M.C.: Intrinsically Disordered Protein Ntr2 Modulates the Spliceosomal RNA Helicase Brr2. , Biophysical Journal 114 (2018), p. 788-799
doi: 10.1016/j.bpj.2017.12.033

Pokorná, J.; Pachl, P.; Karlukova, E.; Hejdánek, J.; Rezacova, P.; Machara, A.; Hudlický, J.; Konvalinka, J.; Kozisek, M.: Kinetic, thermodynamic, and structural analysis of drug resistance mutations in neuraminidase from the 2009 pandemic influenza virus. , Viruses (Basel) 10 (2018), p. 339/1-15
doi: 10.3390/v10070339

Qureshi, B.M.; Schmidt, A.; Behrmann, E.; Buerger, J.; Mielke, T.; Spahn, C.M.T.; Heck, M.; Scheerer, P.: Mechanistic insights into the role of prenyl-binding protein PrBP/delta in membrane dissociation of phosphodiesterase 6. , Nature Communications 9 (2018), p. 90/1-12
doi: 10.1038/s41467-017-02569-y

Czyrko, J.; Sliwiak, J.; Imiolczyk, B.; Gdaniec, Z.; Jaskolski, M.; Brzezinski, K.: Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa. , Scientific Reports 8 (2018), p. 11334/1-15
doi: 10.1038/s41598-018-29535-y

Gerlach, D.; Guo, Y.; De Castro, C.; Kim, S.H.; Schlatterer, K.; Xu, F.F.; Pereira, C.; Seeberger, P.H.; Ali, S.; Codee, J.; Sirisarn, W.; Schulte, B.; Wolz, C.; Larsen, J.; Molinaro, A.; Lee, B.L.; Xia, G.; Stehle, T.; Peschel, A.: Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity. , Nature 563 (2018), p. 705-709
doi: 10.1038/s41586-018-0730-x

Weber, G.; DeKoster, G.T.; Holton, N.; Hall, K.B.; Wahl, M.C.: Molecular principles underlying dual RNA specificity in the Drosophila SNF protein. , Nature Communications 9 (2018), p. 2220
doi: 10.1038/s41467-018-04561-6

Adamkova, Kristýna: Monitoring of the interaction of zinc-dependent nuclease inhibitors using X-ray crystallography and biophysical methods. , Prague, University of Chemistry and Technology (UCT Prague), Diplom, 2018

Ignatz, E.; Geisselbrecht, Y.; Kiontke, S.; Essen, L.O.: Nicotinamide Adenine Dinucleotides Arrest Photoreduction of Class II DNA Photolyases in FADH˙ State. , Photochemistry and Photobiology 94 (2018), p. 81-87
doi: 10.1111/php.12834

Kazokaite, J.; Niemans, R.; Dudutiene, V.; Becker, H.; Leitans, J.; Zubriene, A.; Baranauskiene, L.; Gondi, G.; Zeidler, R.; Matuliene, J.; Tars, K.; Yaromina, A.; Lambin, P.; Dubois, L.; Matulis, D.: Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. , OncoTarget 9 (2018), p. 26800-26816
doi: 10.18632/oncotarget.25508

Tröster, A.; Heinzlmeir, S.; Berger, B.; Gande, S.; Saxena, K.; Sreeramulu, S.; Linhard, V.; Nasiri, A.; Bolte, M.; Müller, S.; Kuster, B.; Médard, G.; Kudlinzki, D.; Schwalbe, H.: NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family. , ChemMedChem 13 (2018), p. 1629-1633
doi: 10.1002/cmdc.201800398

Kalbas, D.; Liebscher, S.; Nowak, T.; Meleshin, M.; Pannek, M.; Popp, C.; Alhalabi, Z.; Bordusa, F.; Sippl, W.; Steegborn, C.; Schutkowski, M.: Potent and Selective Inhibitors of Human Sirtuin 5. , Journal of Medicinal Chemistry 61 (2018), p. 2460-2471
doi: 10.1021/acs.jmedchem.7b01648

Schmitt, A.; Jiang, K.; Camacho, M.I.; Jonna, V.R.; Hofer, A.; Westerlund, F.; Christie, P.J.; Berntsson, R.P.: PrgB promotes aggregation, biofilm formation, and conjugation through DNA binding and compaction. , Molecular Microbiology 109 (2018), p. 291-305
doi: 10.1111/mmi.13980

Schmidt, K.; Petersen, J.; Munkert, J.; Egerer-Sieber, C.; Hornig, M.; Muller, Y.A.; Kreis, W.: PRISEs (progesterone 5β-reductase and/or iridoid synthase-like 1,4-enone reductases): Catalytic and substrate promiscuity allows for realization of multiple pathways in plant metabolism. , Phytochemistry 156 (2018), p. 9-19
doi: 10.1016/j.phytochem.2018.08.012

Sliwiak, J.; Sikorski, M.; Jaskolski, M.: PR-10 proteins as potential mediators of melatonin-cytokinin cross-talk in plants: crystallographic studies of LlPR-10.2B isoform from yellow lupine. , FEBS Journal 285 (2018), p. 1907-1922
doi: 10.1111/febs.14455

Pecina, A.; Brynda, J.; Vrzal, L.; Gnanasekaran, R.; Horejsi, M.; Eyrilmez, S.; Rezac, J.; Lepsik, M.; Rezacova, P.; Hobza, P.; Majer, P.; Veverka, V.; Fanfrlík, J.: Ranking Power of the SQM/COSMO Scoring Function on Carbonic AnhydraseII-Inhibitor Complexes. , ChemPhysChem 19 (2018), p. 873-879
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Vu, Van Loi: Redox-sensing mechanisms under hypochlorite stress in Staphylococcus aureus. , Berlin, Freie Universität Berlin, Diss., 2018

Hnizda, A.; Fabry, M.; Moriyama, T.; Pachl, P.; Kugler, M.; Brinsa, V.; Ascher, D.; Carroll, W.; Novak, P.; Zaliova, M.; Trka, J.; Rezacova, P.; Yang, J.; Veverka, V.: Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation. , Leukemia 32 (2018), p. 1393-1403
doi: 10.1038/s41375-018-0073-5

Lorenzen, J.; Driller, R.; Waldow, A.; Qoura, F.; Loll, B.; Brück, T.: Rhodococcus erythropolis Oleate Hydratase: a New Member in the Oleate Hydratase Family TreeBiochemical and Structural Studies. , ChemCatChem 10 (2018), p. 407-414
doi: 10.1002/cctc.201701350

Scheib, U.; Broser, M.; Constantin, O.; Yang, S.; Gao, S.; Mukherjee, S.; Stehfest, K.; Nagel, G.; Gee, C.; Hegemann, P.: Rhodopsin-cyclases for photocontrol of cGMP/cAMP and 2.3 angstrom structure of the adenylyl cyclase domain. , Nature Communications 9 (2018), p. 2046/1-15
doi: 10.1038/s41467-018-04428-w

Kailing, L.L.; Bertinetti, D.; Paul, C.E.; Manszewski, T.; Jaskolski, M.; Herberg, F.W.; Pavlidis, I.V.: S-Adenosyl-L-Homocysteine Hydrolase Inhibition by a Synthetic Nicotinamide Cofactor Biomimetic. , Frontiers in Microbiology 9 (2018), p. 505/1-11
doi: 10.3389/fmicb.2018.00505

Keller, S.; Kunze, C.; Bommer, M.; Paetz, C.; Menezes, R.C.; Svatos, A.; Dobbek, H.; Schubert, T.: Selective Utilization of Benzimidazolyl-Norcobamides as Cofactors by the Tetrachloroethene Reductive Dehalogenase of Sulfurospirillum multivorans. , Journal of Bacteriology 200 (2018), p. e00584-17
doi: 10.1128/JB.00584-17

Bartossek, Tomas: Structural and functional analysis of the trypanosomal variant surface glycoprotein using x-ray scattering techniques and fluorescence microscopy. , Würzburg, Universität Würzburg, Diss., 2018

Licht, A.; Bommer, M.; Werther, T.; Neumann, K.; Hobe, C.; Schneider, E.: Structural and functional characterization of a maltose/maltodextrin ABC transporter comprising a single solute binding domain (MalE) fused to the transmembrane subunit MalF. , Research in Microbiology 170 (2018), p. 1-12
doi: 10.1016/j.resmic.2018.08.006

Kock, M.; Brückner, S.; Wozniak, N.; Maestre-Reyna, M.; Veelders, M.; Schlereth, J.; Mösch, H.U.; Essen, L.O.: Structural and Functional Characterization of PA14/Flo5-Like Adhesins FromKomagataella pastoris. , Frontiers in Microbiology 9 (2018), p. 2581/1-17
doi: 10.3389/fmicb.2018.02581

Kunze, Cindy: Structural and functional relations in cobamide-containing reductive dehalogenases from anaerobic bacteria. , Jena, Universität, Diss., 2018

Grudnik, P.; Kaminski, M.M.; Rembacz, K.P.; Kuska, K.; Madej, M.; Potempa, J.; Dawidowski, M.; Dubin, G.: Structural basis for ADP-dependent glucokinase inhibition by 8-bromo-substituted adenosine nucleotide. , Journal of Biological Chemistry 293 (2018), p. 11088-11099
doi: 10.1074/jbc.RA117.001562

Wilk, P.; Uehlein, M.; Piwowarczyk, R.; Dobbek, H.; Mueller, U.; Weiss, M.S.: Structural basis for prolidase deficiency disease mechanisms. , FEBS Journal 285 (2018), p. 3422-3441
doi: 10.1111/febs.14620

You, W.; Steegborn, C.: Structural Basis of Sirtuin 6 Inhibition by the Hydroxamate Trichostatin A: Implications for Protein Deacylase Drug Development. , Journal of Medicinal Chemistry 61 (2018), p. 10922-10928
doi: 10.1021/acs.jmedchem.8b01455

Diehl, A.; Roske, Y.; Ball, L.; Chowdhury, A.; Hiller, M.; Moliere, N.; Kramer, R.; Stoppler, D.; Worth, C.L.; Schlegel, B.; Leidert, M.; Cremer, N.; Erdmann, N.; Lopez, D.; Stephanowitz, H.; Krause, E.; van Rossum, B.J.; Schmieder, P.; Heinemann, U.; Turgay, K.; Akbey, U.; Oschkinat, H.: Structural changes of TasA in biofilm formation ofBacillus subtilis. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 115 (2018), p. 3237-3242
doi: 10.1073/pnas.1718102115

Melo, Arthur: Structural insights into the activation mechanism of the EHD family. , Berlin, Freie Universität Berlin, Diss., 2018

Schmidt, A.; Sauthof, L.; Szczepek, M.; Fernandez Lopez, M.; Velazquez Escobar, F.; Qureshi, B.M.; Michael, N.; Buhrke, D.; Stevens, T.; Kwiatkowski, D.; von Stetten, D.; Mroginski, M.; Krauß, N.; Lamparter, T.; Hildebrandt, P.; Scheerer, P.: Structural snapshot of a bacterial phytochrome in its functional intermediate state. , Nature Communications 9 (2018), p. 4912/1-13
doi: 10.1038/s41467-018-07392-7

Orlikowska, M.; de J. Rostro-Alanis, M.; Bujacz, A.; Hernández-Luna, C.; Rubio, R.; Parra, R.; Bujacz, G.: Structural studies of two thermostable laccases from the white-rot fungus Pycnoporus sanguineus. , International Journal of Biological Macromolecules 107 (2018), p. 1629-1640
doi: 10.1016/j.ijbiomac.2017.10.024

Maly, Martin: Structure analysis of oxidase:ligand complexes. , Prague, České vysoké učení technické v Praze (CVUT), thesis, 2018

Antoshvili, M.; Caspy, I.; Hippler, M.; Nelson, N.: Structure and function of photosystem I in Cyanidioschyzon merolae. , Photosynthesis Research 139 (2018), p. 499-508
doi: 10.1007/s11120-018-0501-4

Malavath, T.; Caspy, I.; Netzer-El, S.; Klaiman, D.; Nelson, N.: Structure and function of wild-type and subunit-depleted photosystem I in Synechocystis. , Biochimica et Biophysica Acta - Bioenergetics 1859 (2018), p. 645-654
doi: 10.1016/j.bbabio.2018.02.002

Caspy, I.; Nelson, N.: Structure of the plant photosystem I. , Biochemical Society Transactions 46 (2018), p. 285-294
doi: 10.1042/BST20170299

Ehrmann, F.R.; Kalim, J.; Pfaffeneder, T.; Bernet, B.; Hohn, C.; Schäfer, E.; Botzanowski, T.; Cianférani, S.; Heine, A.; Reuter, K.; Diederich, F.; Klebe, G.: Swapping Interface Contacts in the Homodimeric tRNA-Guanine Transglycosylase: An Option for Functional Regulation. , Angewandte Chemie - International Edition 57 (2018), p. 10085-10090
doi: 10.1002/anie.201804627

Jancaríková, G.; Herczeg, M.; Fujdiarová, E.; Houser, J.; Kövér, K.E.; Borbás, A.; Wimmerová, M.; Csávás, M.: Synthesis of alpha-L-Fucopyranoside-Presenting Glycoclusters and Investigation of Their Interaction with Photorhabdus asymbiotica Lectin (PHL). , Chemistry - A European Journal 24 (2018), p. 4055-4068
doi: 10.1002/chem.201705853

Gustafsson, N.M.S.; Farnegardh, K.; Bonagas, N.; Ninou, A.H.; Groth, P.; Wiita, E.; Jonsson, M.; Hallberg, K.; Lehto, J.; Pennisi, R.; Martinsson, J.; Norstrom, C.; Hollers, J.; Schultz, J.; Andersson, M.; Markova, N.; Marttila, P.; Kim, B.; Norin, M.; Olin, T.; Helleday, T.: Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination. , Nature Communications 9 (2018), p. 3872/1-16
doi: 10.1038/s41467-018-06287-x

Imber, M.; Vu Van Loi, ; Reznikov, S.; Fritsch, V.N.; Pietrzyk-Brzezinska, A.J.; Prehn, J.; Hamilton, C.; Wahl, M.C.; Bronowska, A.K.; Antelmann, H.: The aldehyde dehydrogenase AldA contributes to the hypochlorite defense and is redox-controlled by protein S-bacillithiolation in Staphylococcus aureus. , Redox Biology 15 (2018), p. 557-568
doi: 10.1016/j.redox.2018.02.001

Lund, B.A.; Thomassen, A.M.; Nesheim, B.H.B.; Carlsen, T.J.O.; Isaksson, J.; Christopeit, T.; Leiros, H.-C.S.: The biological assembly of OXA-48 reveal a dimer interface high charge complementarity and very high affinity. , FEBS Journal 285 (2018), p. 4214-4228
doi: 10.1111/febs.14643

Krausze, J.; Hercher, T.W.; Zwerschke, D.; Kirk, M.L.; Blankenfeldt, W.; Mendel, R.R.; Kruse, T.: The functional principle of eukaryotic molybdenum insertases. , Biochemical Journal 475 (2018), p. 1739-1753
doi: 10.1042/BCJ20170935

Hafstrand, I.; Doorduijn, E.M; Sun, R.; Talyzina, A.; Sluijter, M.; Pellegrino, S.; Sandalova, T.; Doganay Duru, A.; van Hall, T.; Achour, A.: The Immunogenicity of a Proline-Substituted Altered Peptide Ligand toward the Cancer-Associated TEIPP Neoepitope Trh4 Is Unrelated to Complex Stability. , Journal of Immunology 200 (2018), p. 2860-2868
doi: 10.4049/jimmunol.1700228

Zuber, P.K.; Artsimovitch, I.; NandyMazumdar, M.; Liu, Z.; Nedialkov, Y.; Schweimer, K.; Rosch, P.; Knauer, S.H.: The universally-conserved transcription factor RfaH is recruited to a hairpin structure of the non-template DNA strand. , eLife 7 (2018), p. e36349/1-22
doi: 10.7554/eLife.36349

Piasecka, A.; Czapinska, H.; Vielberg, M.T.; Szczepanowski, R.H.; Kiefersauer, R.; Reed, S.; Groll, M.; Bochtler, M.: The Y. bercovieri Anbu crystal structure sheds light on the evolution of highly (pseudo)symmetric multimers. , Journal of Molecular Biology : jmb 430 (2018), p. 611-627
doi: 10.1016/j.jmb.2017.11.016

Kalms, J.; Schmidt, A.; Frielingsdorf, S.; Utesch, T.; Gotthard, G.; von Stetten, D.; van der Linden, P.; Royant, A.; Mroginski, M.; Carpentier, P.; Lenz, O.; Scheerer, P.: Tracking the route of molecular oxygen in O-2-tolerant membrane-bound [NiFe] hydrogenase. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 115 (2018), p. E2229-E2237
doi: 10.1073/pnas.1712267115

Dahms, S.O.; Hardes, K.; Steinmetzer, T.; Than, M.E.: X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket. , Biochemistry 57 (2018), p. 925-934
doi: 10.1021/acs.biochem.7b01124

Psenakova, K.; Petrvalska, O.; Kylarova, S.; Lentini Santo, D.; Kalabova, D.; Herman, P.; Obsilova, V.; Obsil, T.: 14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2). , Biochimica et Biophysica Acta - General Subjects 1862 (2018), p. 1612-1625
doi: 10.1016/j.bbagen.2018.04.006

Wojtczak, B.A.; Sikorski, P.J.; Fac-Dabrowska, K.; Nowicka, A.; Warminski, M.; Kubacka, D.; Nowak, E.; Nowotny, M.; Kowalska, J.; Jemielity, J.: 5 '-Phosphorothiolate Dinucleotide Cap Analogues: Reagents for Messenger RNA Modification and Potent Small-Molecular Inhibitors of Decapping Enzymes. , Journal of the American Chemical Society 140 (2018), p. 5987-5999
doi: 10.1021/jacs.8b02597

2017

Cramer, J.; Schiebel, J.; Grohe, K.; Najbauer, E.E.; Ehrmann, F.R.; Radeva, N.; Zitzer, N.; Linne, U.; Linser, R.; Heine, A.; Klebe, G.: A False-Positive Screening Hit in Fragment-Based Lead Discovery: Watch out for the Red Herring. , Angewandte Chemie - International Edition 56 (2017), p. 1908-1913
doi: 10.1002/anie.201609824

Ticha, A.; Stanchev, S.; Vinothkumar, K.; Mikles, D.; Pachl, P.; Svehlova, K.; Nguyen, M.; Verhelst, S.; Johnson, D.; Bachovchin, D.; Majer, P.; Strisovsky, K.: A modular and generalizable route to potent, selective and pharmacologically compliant inhibitors of rhomboid proteases. , FEBS Journal 24 (2017), p. 1523-1536.e4
doi: 10.1016/j.chembiol.2017.09.007

Nemchinova, M.; Balobanov, V.; Nikonova, E.; Lekontseva, N.; Mikhaylina, A.; Tishchenko, S.; Nikulin, A.: An Experimental Tool to Estimate the Probability of a Nucleotide Presence in the Crystal Structures of the Nucleotide-Protein Complexes. , The Protein Journal 36 (2017), p. 157-165
doi: 10.1007/s10930-017-9709-y

Ge, C.; Tong, C.; Liang, D.; Lönnblom, B.; Schneider, E; Ayoglu, J.; Stawikowska, B.; Nilsson, R.; Fields, G.B.; Skogh, T.; Kastbom, T.; Kihlberg, A.; Burkhardt, J.; Dobritzsch, H.; Holmdahl, D.: Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage. , JCI Insight 2 (2017), p. 1-19
doi: 10.1172/jci.insight.93688

Kiontke, S.; Langemeyer, L.; Kuhlee, A.; Schuback, S.; Raunser, S.; Ungermann, C.; Kümmel, D.: Architecture and mechanism of the late endosomal Rab7-like Ypt7 guanine nucleotide exchange factor complex Mon1-Ccz1. , Nature Communications 8 (2017), p. 14034/1-10
doi: 10.1038/ncomms14034

Hanske, J.; Schulze, J.; Aretz, J.; McBride, R.; Loll, B.; Schmidt, H.; Knirel, Y.; Rabsch, W.; Wahl, M.C.; Paulson, J.C.; Rademacher, C.: Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent. , Journal of Biological Chemistry 292 (2017), p. 862-871
doi: 10.1074/jbc.M116.751750

Witkowska, Julia: Badania oddziaływań proteasomu z allosterycznymi modulatorami jego aktywności oraz wyznaczenie miejsc ich wiązania z enzymem za pomocą rentgenografii strukturalne = Study of the interaction of the proteasome with allosteric modulators of its activity and determining the enzyme allosteric binding sites using X-ray crystallography. , Gdansk, Uniwersytet Gdański, thesis, 2017

Bouché, L.; Christ, C.D.; Siegel, S.; Fernández-Montalván, A.E.; Holton, S.J.; Fedorov, O.; Ter Laak, A.; Sugawara, T.; Stöckigt, D.; Tallant, C.; Bennett, J.; Monteiro, O.; Díaz-Sáez, L.; Siejka, P.; Meier, J.; Pütter, V.; Weiske, J.; Müller, S.; Huber, K.V.M.; Hartung, I.; Haendler, B.: Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains. , Journal of Medicinal Chemistry 60 (2017), p. 4002-4022
doi: 10.1021/acs.jmedchem.7b00306

Magiera-Mularz, K.; Skalniak, L.; Zak, K.M.; Musielak, B.; Rudzinska-Szostak, E.; Kocik, J.; Grudnik, P.; Sala, D.; Zarganes-Tzitzikas, T.; Shaabani, S.; Domling, A.; Dubin, G.; Holak, T.A.: Bioactive Macrocyclic Inhibitors of the PD-1/PD-L1 Immune Checkpoint. , Angewandte Chemie - International Edition 56 (2017), p. 13732-13735
doi: 10.1002/anie.201707707

Pannek, Martin: Biochemical and structural studies on the mitochondrial Sirtuins 4 and 5. , Bayreuth, Universität, Diss., 2017

Stsiapanava, A.; Samuelsson, B.; Haeggström, J.Z.: Capturing LTA4 hydrolase in action: Insights to the chemistry and dynamics of chemotactic LTB4 synthesis. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 114 (2017), p. 9689-9694
doi: 10.1073/pnas.1710850114

Jancarikova, G.; Houser, J.; Dobes, P.; Demo, G.; Hyrsl, P.; Wimmerova, M.: Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity. , PLoS Pathogens 13 (2017), p. 1006564/1-28
doi: 10.1371/journal.ppat.1006564

Heinzlmeir, S.; Lohse, J.; Treiber, T.; Kudlinzki, D.; Linhard, V.; Gande, S.L.; Sreeramulu, S.; Saxena, K.; Liu, X.; Wilhelm, M.; Schwalbe, H.; Kuster, B.; Medard, G.: Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. , ChemMedChem 12 (2017), p. 999-1011
doi: 10.1002/cmdc.201700217

Fischer, A.; Harrison, K.S.; Ramirez, Y.; Auer, D.; Chowdhury, S.R.; Prusty, B.K.; Sauer, F.; Dimond, Z.; Kisker, C.; Scott Hefty, P.; Rudel, T.: Chlamydia trachomatis-containing vacuole serves as deubiquitination platform to stabilize Mcl-1 and to interfere with host defense. , eLife 6 (2017), p. e21465/1-27
doi: 10.7554/eLife.21465

Kunze, C.; Bommer, M.; Hagen, W.R.; Uksa, M.; Dobbek, H.; Schubert, T.; Diekert, G.: Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. , Nature Communications 8 (2017), p. 15858/1-11
doi: 10.1038/ncomms15858

Domnik, L.; Merrouch, M.; Goetzl, S.; Jeoung, J.H.; Leger, C.; Dementin, S.; Fourmond, V.; Dobbek, H.: CODH-IV: A High-Efficiency CO-Scavenging CO Dehydrogenase with Resistance to O2. , Angewandte Chemie - International Edition 56 (2017), p. 15466-15469
doi: 10.1002/anie.201709261

Kumar, R.; Moche, M.; Winblad, B.; Pavlov, P.F.: Combined x-ray crystallography and computational modeling approach to investigate the Hsp90 C-terminal peptide binding to FKBP51. , Scientific Reports 7 (2017), p. 1428812-17
doi: 10.1038/s41598-017-14731-z

Śliwiak, Joanna: Kompleksy białek PR-10 z hormonami roślinnymi: badania krystalograficzne i dwufazowe = Complexes of PR-10 proteins with plant hormones : crystallographic and biphysical studies. , Poznan, Institute of Bioorganic Chemistry, Polish Academy of Sciences, thesis, 2017

Otrusinova, O.; Demo, G.; Padrta, P.; Jasenakova, Z.; Pekarova, B.; Gelova, Z.; Szmitkowska, A.; Kaderavek, P.; Jansen, S.; Zachrdla, M.; Klumpler, T.; Marek, J.; Hritz, J.; Janda, L.; Iwai, H.; Wimmerova, M.; Hejatko, J.; Zidek, L.: Conformational dynamics are a key factor in signaling mediated by the receiver domain of a sensor histidine kinase from Arabidopsis thaliana. , Journal of Biological Chemistry 292 (2017), p. 17525-17540
doi: 10.1074/jbc.M117.790212

Skinner, J.J.; Wang, S.; Lee, J.; Ong, C.; Sommese, R.; Sivaramakrishnan, S.; Koelmel, W.; Hirschbeck, M.; Schindelin, H.; Kisker, C.; Lorenz, K.; Sosnick, T.R.; Rich Rosner, M.: Conserved salt-bridge competition triggered by phosphorylation regulates the protein interactome. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 114 (2017), p. 13453-13458
doi: 10.1073/pnas.1711543114

Stranava, M.; Man, P.; Skálová, T.; Kolenko, P.; Blaha, J.; Fojtikova, V.; Martínek, V.; Dohnálek, J.; Lengalova, A.; lek, M.; Shimizu, T.; Martínková, M.: Coordination and redox state-dependent structural changes of the heme-based oxygen sensor AfGcHK associated with intraprotein signal transduction. , Journal of Biological Chemistry 292 (2017), p. 20921-20935
doi: 10.1074/jbc.M117.817023

Witkowska, J.; Gizynska, M.; Grudnik, P.; Golik, P.; Karpowicz, P.; Gieldon, A.; Dubin, G.; Jankowska, E.: Crystal structure of a low molecular weight activator Blm-pep with yeast 20S proteasome - insights into the enzyme activation mechanism. , Scientific Reports 7 (2017), p. 6177/1-11
doi: 10.1038/s41598-017-05997-4

Heilingloh, C.S.; Klingl, S.; Egerer-Sieber, C.; Schmid, B.; Weiler, S.; Mühl-Zürbes, P.; Hofmann, J.; Stump, J.D.; Sticht, H.; Kummer, M.; Steinkasserer, A.; Muller, Y.A.: Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83. , Journal of Molecular Biology : jmb 429 (2017), p. 1227-1243
doi: 10.1016/j.jmb.2017.03.009

Rumnieks, Janis; Tars, Kaspars: Crystal Structure of the Maturation Protein from Bacteriophage Q beta. , Journal of Molecular Biology : jmb 429 (2017), p. 688-696
doi: 10.1016/j.jmb.2017.01.012

Zhang, F.; Ma, H.; Bowatte, K.; Kwiatkowski, D.; Mittmann, E.; Qasem, H.; Krauß, N.; Zeng, X.; Ren, Z.; Scheerer, P.; Yang, X.; Lamparter, T.: Crystal Structures of Bacterial (6-4) Photolyase Mutants with Impaired DNA Repair Activity. , Photochemistry and Photobiology 93 (2017), p. 323-330
doi: 10.1111/php.12699

Jarmula, A.; Wilk, P.; Maj, P.; Ludwiczak, J.; Dowiercial, A.; Banaszak, K.; Rypniewski, W.; Ciesla, J.; Dabrowska, M.; Fraczyk, T.; Bronowska, A.K.; Jakowiecki, J.; Filipek, S.; Rode, W.: Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS. , Journal of Molecular Graphics and Modelling 77 (2017), p. 33-50
doi: 10.1016/j.jmgm.2017.08.008

Gustafsson, R.; Berntsson, R.P.; Martinez-Carranza, M.; El Tekle, G.; Odegrip, R.; Johnson, E.A.; Stenmark, P.: Crystal structures of OrfX2 and P47 from a Botulinum neurotoxin OrfX-type gene cluster. , FEBS Letters 591 (2017), p. 3781-3792
doi: 10.1002/1873-3468.12889

Bujacz, A.; Talaj, J.A.; Zielinski, K.; Pietrzyk-Brzezinska, A.J.; Neumann, P.: Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid. , Acta Crystallographica Section D - Structural biology 73 (2017), p. 896-909
doi: 10.1107/S205979831701470X

Haag, S.; Schindler, M.; Berndt, L.; Brennicke, A.; Takenaka, M.; Weber, G.: Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9. , Nucleic Acids Research 45 (2017), p. 4915-4928
doi: 10.1093/nar/gkx099

Pannek, M.; Simic, Z.; Fuszard, M.; Meleshin, M.; Rotili, D.; Mai, A.; Schutkowski, M.; Steegborn, C.: Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features. , Nature Communications 8 (2017), p. 1513/1-13
doi: 10.1038/s41467-017-01701-2

Han, H.; Kursula, P.: Crystallographic anomalous diffraction data for the experimental phasing of two myelin proteins, gliomedin and periaxin. , Data in Brief 11 (2017), p. 552-556
doi: 10.1016/j.dib.2017.02.049

Moniot, S.; Forgione, M.; Lucidi, A.; Haihi, G.S.; Nebbioso, A.; Carafa, V.; Baratta, F.; Altucci, L.; Giacche, N.; Passeri, D.; Pellicciari, R.; Mai, A.; Steegborn, C.; Rotili, D.: Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity. , Journal of Medicinal Chemistry 60 (2017), p. 2344-2360
doi: 10.1021/acs.jmedchem.6b01609

Misra, M.; Kuhn, M.; Löbel, M.; An, H.; Statsyuk, A.V.; Sotriffer, C.; Schindelin, H.: Dissecting the Specificity of Adenosyl Sulfamate Inhibitors Targeting the Ubiquitin-Activating Enzyme. , Structure 25 (2017), p. 1120-1129.e3
doi: 10.1016/j.str.2017.05.001

Müller, Janis: Erkennen von Proteinoberflächen durch ungewöhnliche Substrat-analoge Inhibitoren am Beispiel der cAMP-abhängigen Proteinkinase A. , Uni Marburg, 2017

Spagnuolo, L.A.; Eltschkner, S.; Yu, W.; Daryaee, F.; Davoodi, S.; Knudson, S.E.; Allen, E.K.; Merino, J.; Pschibul, A.; Moree, B.; Thivalapill, N.; Truglio, J.J.; Salafsky, J.; Slayden, R.A.; Kisker, C.; Tonge, P.J.: Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. , Journal of the American Chemical Society 139 (2017), p. 3417-3429
doi: 10.1021/jacs.6b11148

Speck, David: Expression and purification of bovine cone 3‘,5‘-cyclic nucleotide phosphodiesterase 6. , Berlin, Freie Universität Berlin, Master, 2017

Hamark, C.; Berntsson, R.P.; Masuyer, G.; Henriksson, L.M.; Gustafsson, R.; Stenmark, P.; Widmalm, G.: Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A. , Journal of the American Chemical Society 139 (2017), p. 218 - 230
doi: 10.1021/jacs.6b09534

Krimmer, S.G.; Cramer, J.; Schiebel, J.; Heine, A.; Klebe, G.: How Nothing Boosts Affinity: Hydrophobic Ligand Binding to the Virtually Vacated S1' Pocket of Thermolysin. , Journal of the American Chemical Society 139 (2017), p. 10419-10431
doi: 10.1021/jacs.7b05028

Homburg, C.; Bommer, M.; Wuttge, S.; Hobe, C.; Beck, S.; Dobbek, H.; Deutscher, J.; Licht, A.; Schneider, E.: Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. , Molecular Microbiology 105 (2017), p. 25-45
doi: 10.1111/mmi.13680

Houser, J.; Kozmon, S.; Mishra, D.; Mishra, S.K.; Romano, P.R.; Wimmerova, M.; Koca, J.: Influence of Trp flipping on carbohydrate binding in lectins. An example on Aleuria aurantia lectin AAL. , PLoS One 12 (2017), p. e0189375
doi: 10.1371/journal.pone.0189375

Saccoliti, F.; Angiulli, G.; Pupo, G.; Pescatori, L.; Madia, V.N.; Messore, A.; Colotti, G.; Fiorillo, A.; Scipione, L.; Gramiccia, M.; Di Muccio, T.; Di Santo, R.; Costi, R.; Ilari, A.: Inhibition of Leishmania infantum trypanothione reductase by diaryl sulfide derivatives. , Journal of Enzyme Inhibition and Medicinal Chemistry 32 (2017), p. 304-310
doi: 10.1080/14756366.2016.1250755

Cramer, Jonathan: Inhibitor Synthesis and Biophysical Characterization of Protein–Ligand–Solvent Interactions An Analysis of the Thermodynamics and Kinetics of Ligand Binding to Thermolysin. , Marburg, Philipps-Universität, Diss., 2017

Absmeier, E.; Becke, C.; Wollenhaupt, J.; Santos, K.F.; Wahl, M.C.: Interplay of cis- and trans-regulatory mechanisms in the spliceosomal RNA helicase Brr2. , Cell Cycle 16 (2017), p. 100-112
doi: 10.1080/15384101.2016.1255384

Klima, M.; Chalupska, D.; Rozycki, B.; Humpolickova, J.; Rezabkova, L.; Silhan, J.; Baumlova, A.; Dubankova, A.; Boura, E.: Kobuviral Non-structural 3A Proteins Act as Molecular Harnesses to Hijack the Host ACBD3 Protein. , Structure 25 (2017), p. 219-230
doi: 10.1016/j.str.2016.11.021

Weiss, M.S.: Long-Wavelength X-Ray Diffraction and Its Applications in Macromolecular Crystallography. , In: Alexander Wlodawer, Zbigniew Dauter, Mariusz Jaskolski [Ed.] : Protein crystallography : methods and protocolsNew York, NY: Humana Press, 2017 (Methods in Molecular Biology ; 1607). - ISBN 978-1-4939-6998-2, p. 401-420
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Rajabi, N.; Auth, M.; Troelsen, K.R.; Pannek, M.; Bhatt, D.P.; Fontenas, M.; Hirschey, M.D.; Steegborn, C.; Madsen, A.S.; Olsen, C.A.: Mechanism-Based Inhibitors of the Human Sirtuin 5 Deacylase: Structure-Activity Relationship, Biostructural, and Kinetic Insight. , Angewandte Chemie - International Edition 56 (2017), p. 14836-14841
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Chinthalapudi, K.; Heissler, S.M.; Preller, M.; Sellers, J.R.; Manstein, D.J.: Mechanistic insights into the active site and allosteric communication pathways in human nonmuscle myosin-2C. , eLife 6 (2017), p. e32742/1-24
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Boura, E.; Baumlova, A.; Chalupska, D.; Dubankova, A.; Klima, M.: Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography. , Protein Science 26 (2017), p. 1116-1123
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Alblova, M.; Smidova, A.; Docekal, V.; Vesely, J.; Herman, P.; Obsilova, V.; Obsil, T.: Molecular basis of the 14-3-3 protein-dependent activation of yeast neutral trehalase Nth1. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 114 (2017), p. E9811-E9820
doi: 10.1073/pnas.1714491114

Dowiercial, Anna; Jarmula, Adam; Wilk, Piotr; Rypniewski, Wojciech; Kowalska, Monika; Fraczyk, Tomasz; Ciesla, Joanna; Rode, Wojciech: Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme. , Structural Chemistry 28 (2017), p. 667-674
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Rydzik, A.M.; Warminski, M.; Sikorski, P.J.; Baranowski, M.R.; Walczak, S.; Kowalska, J.; Zuberek, J.; Lukaszewicz, M.; Nowak, E.; Claridge, T.D.W.; Darzynkiewicz, E.; Nowotny, M.; Jemielity, J.: mRNA cap analogues substituted in the tetraphosphate chain with CX2: identification of O-to-CCl2 as the first bridging modification that confers resistance to decapping without impairing translation. , Nucleic Acids Research 45 (2017), p. 8661-8675
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Jung, L.A.; Gebhardt, A.; Koelmel, W.; Ade, C.P.; Walz, S.; Kuper, J.; von Eyss, B.; Letschert, S.; Redel, C.; d'Artista, L.; Biankin, A.; Zender, L.; Sauer, M.; Wolf, E.; Evan, G.; Kisker, C.; Eilers, M.: OmoMYC blunts promoter invasion by oncogenic MYC to inhibit gene expression characteristic of MYC-dependent tumors. , Oncogene 36 (2017), p. 1911-1924
doi: 10.1038/onc.2016.354

Cramer, J.; Krimmer, S.G.; Heine, A.; Klebe, G.: Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors. , Journal of Medicinal Chemistry 60 (2017), p. 5791-5799
doi: 10.1021/acs.jmedchem.7b00490

Hauf, M.; Richter, F.; Schneider, T.; Faidt, T.; Martins, B.M.; Baumann, T.; Durkin, P.; Dobbek, H.; Jacobs, K.; Moeglich, A.; Budisa, N.: Photoactivatable Mussel-Based Underwater Adhesive Proteins by an Expanded Genetic Code. , ChemBioChem 18 (2017), p. 1819-1823
doi: 10.1002/cbic.201700327

Edwardraja, S.; Eichinger, A.; Theobald, I.; Sommer, C.A.; Reichert, A.J.; Skerra, A.: Rational Design of an Anticalin-Type Sugar-Binding Protein Using a Genetically Encoded Boronate Side Chain. , ACS Sustainable Chemistry & Engineering 6 (2017), p. 2241-2247
doi: 10.1021/acssynbio.7b00199

Neckles, C.; Eltschkner, S.; Cummings, J.E.; Hirschbeck, M.; Daryaee, F.; Bommineni, G.R.; Zhang, Z.; Spagnuolo, L.; Yu, W.; Davoodi, S.; Slayden, R.A.; Kisker, C.; Tonge, P.J.: Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. , Biochemistry 56 (2017), p. 1865-1878
doi: 10.1021/acs.biochem.6b01048

Werther, T.; Wahlefeld, S.; Salewski, J.; Kuhlmann, U.; Zebger, I.; Hildebrandt, P.; Dobbek, H.: Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase. , Nature Communications 8 (2017), p. 16084/1-8
doi: 10.1038/ncomms16084

Wedepohl, S.; Dernedde, J.; Vahedi-Faridi, A.; Tauber, R.; Saenger, W.; Bulut, H.: Reducing Macro- and Microheterogeneity of N-Glycans Enables the Crystal Structure of the Lectin and EGF-Like Domains of Human L-Selectin To Be Solved at 1.9 Å Resolution. , ChemBioChem 18 (2017), p. 1338-1345
doi: 10.1002/cbic.201700220

Kirschner, Romina Anna: Ribopyranosylierte Peptide als Bausteine für den reversiblen Aufbau von Bisubstrat-Inhibitoren für die Proteinkinase A. , Uni Marburg, 2017

Skalniak, L.; Zak, K.; Guzik, K.; Magiera, K.; Musielak, B.; Pachota, M.; Szelazek, B.; Kocik, J.; Grudnik, P.; Tomala, M.; Krzanik, S.; Pyrc, K.; Dömling, A.; Dubin, G.; Holak, T.: Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. , OncoTarget 8 (2017), p. 72167-72181
doi: 10.18632/oncotarget.20050

Guzik, K.; Zak, K.M.; Grudnik, P.; Magiera, K.; Musielak, B.; Törner, R.; Skalniak, L.; Dömling, A.; Dubin, G.; Holak, T.A.: Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. , Journal of Medicinal Chemistry 60 (2017), p. 5857-5867
doi: 10.1021/acs.jmedchem.7b00293

Twarda-Clapa, Aleksandra: Small-molecule inhibitors of the p53-Mdm2/MdmX interaction as basis of anticancer therapy : determination of the crystal structure of the FAS1 domain of the hyaluronic acid receptor Stab2. , Krakow, Uniwersytetu Jagiellońskiego, thesis, 2017

Ehrmann, F.R.; Stojko, J.; Metz, A.; Debaene, F.; Barandun, L.J.; Heine, A.; Diederich, F.; Cianferani, S.; Reuter, K.; Klebe, G.: Soaking suggests " alternative facts " : Only cocrystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-of-inhibition. , PLoS One 12 (2017), p. e0175723/1-30
doi: 10.1371/journal.pone.0175723

Ströh, Luisa Johanna: Structural Analysis and Glycan Receptor Binding Specificities of Human Polyomaviruses. , Tübingen, Eberhard Karls Universität, Diss., 2017

Bogusz, J.; Zrubek, K.; Rembacz, K.P.; Grudnik, P.; Golik, P.; Romanowska, M.; Wladyka, B.; Dubin, G.: Structural analysis of PIM1 kinase complexes with ATP-competitive inhibitors. , Scientific Reports 7 (2017), p. ARTN 13399
doi: 10.1038/s41598-017-13557-z

Balasubramaniyam Sivanandam, Arasu: Structural and Biochemical Analysis of GTPases of IMmunity-Associated Proteins (GIMAPs) and their Interaction Partners. , Berlin, Freie Universität Berlin, Diss., 2017

Piechotta, A.; Parthier, C.; Kleinschmidt, M.; Gnoth, K.; Pillot, T.; Lues, I.; Demuth, H.-U.; Schilling, S.; Rahfeld, J.-U.; Stubbs, M.T.: Structural and functional analyses of pyroglutamate-amyloid-beta-specific antibodies as a basis for Alzheimer immunotherapy. , Journal of Biological Chemistry 292 (2017), p. 12713-12724
doi: 10.1074/jbc.M117.777839

Cernooka, E.; Rumnieks, J.; Tars, K.; Kazaks, A.: Structural Basis for DNA Recognition of a Single-stranded DNA-binding Protein from Enterobacter Phage Enc34. , Scientific Reports 7 (2017), p. 15529/1-10
doi: 10.1038/s41598-017-15774-y

Said, N.; Krupp, F.; Anedchenko, E.; Santos, K.F.; Dybkov, O.; Huang, Y.H.; Lee, C.T.; Loll, B.; Behrmann, E.; Burger, J.; Mielke, T.; Loerke, J.; Urlaub, H.; Spahn, C.M.T.; Weber, G.; Wahl, M.C.: Structural basis for λN-dependent processive transcription antitermination. , Nature Microbiology 2 (2017), p. 17062-17062
doi: 10.1038/nmicrobiol.2017.62

Bartossek, T.; Jones, N.G.; Schäfer, C.; Cvitkovic, M.; Glogger, M.; Mott, H.R.; Kuper, J.; Brennich, M.; Carrington, M.; Smith, A.-S.; Fenz, S.; Kisker, C.; Engstler, M.: Structural basis for the shielding function of the dynamic trypanosome variant surface glycoprotein coat. , Nature Microbiology 2 (2017), p. 1523-1532
doi: 10.1038/s41564-017-0013-6

You, W.; Rotili, D.; Li, T.M.; Kambach, C.; Meleshin, M.; Schutkowski, M.; Chua, K.F.; Steegborn, C.: Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules. , Angewandte Chemie - International Edition 56 (2017), p. 1007-1011
doi: 10.1002/anie.201610082

Sviridova, E.; Rezacova, P.; Bondar, A.; Veverka, V.; Novak, P.; Schenk, G.; Svergun, D.I.; Smatanova, I.K.; Bumba, L.: Structural basis of the interaction between the putative adhesion-involved and iron-regulated FrpD and FrpC proteins of Neisseria meningitidis. , Scientific Reports 7 (2017), p. 40408/1-14
doi: 10.1038/srep40408

Brogi, S.; Fiorillo, A.; Chemi, G.; Butini, S.; Lalle, M.; Ilari, A.; Gemma, S.; Campiani, G.: Structural characterization of Giardia duodenalis thioredoxin reductase (gTrxR) and computational analysis of its interaction with NBDHEX. , European Journal of Medicinal Chemistry 135 (2017), p. 479-490
doi: 10.1016/j.ejmech.2017.04.057

Szelazek, B.; Kabala, W.; Kus, K.; Zdzalik, M.; Twarda-Clapa, A.; Golik, P.; Burmistrz, M.; Florek, D.; Wladyka, B.; Pyrc, K.; Dubin, G.: Structural Characterization of Human Coronavirus NL63 N Protein. , Journal of Virology 91 (2017), p. 02503-16/1-14
doi: 10.1128/JVI.02503-16

Schmitt, Dominik: Structural Characterization of the TFIIH Subunits p34 and p44 from C. thermophilum. , Würzburg, Universität Würzburg, Diss., 2017

Bertoletti, Nicole: Structural Characterization of 17?-Hydroxysteroid Dehydrogenase Type 14 and Inhibitor Optimization Using Crystallography and Computational Techniques. , Uni Marburg, 2017

Kalms, Jacqueline: Structural examination of hydrophobic tunnels in proteins. , Berlin, Technische Universität, Diss., 2017

De Santi, C.; Gani, O.A.B.S.M.; Helland, R.; Williamson, A.: Structural insight into a CE15 esterase from the marine bacterial metagenome. , Scientific Reports 7 (2017), p. 17278/1-10
doi: 10.1038/s41598-017-17677-4

Gonzalez, G.M.; Durica-Mitic, S.; Hardwick, S.W.; Moncrieffe, M.C.; Resch, M.; Neumann, P.; Ficner, R.; Görke, B.; Luisi, B.F.: Structural insights into RapZ-mediated regulation of bacterial amino-sugar metabolism. , Nucleic Acids Research 45 (2017), p. 10845-10860
doi: 10.1093/nar/gkx732

Melo, A.; Hegde, B.; Shah, C.; Larsson, E.; Isas, J.; Kunz, S.; Lundmark, R.; Langen, R.; Daumke, O.: Structural insights into the activation mechanism of dynamin-like EHD ATPases. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 114 (2017), p. 5629-5634
doi: 10.1073/pnas.1614075114

Leupold, S.; Busing, P.; Mas, P.J.; Hart, D.J.; Scrima, A.: Structural insights into the architecture of the Shigella flexneri virulence factor IcsA/VirG and motifs involved in polar distribution and secretion. , Journal of Structural Biology 198 (2017), p. 19-27
doi: 10.1016/j.jsb.2017.03.003

Zhang, M.; Bommer, M.; Chatterjee, R.; Hussein, R.; Yano, J.; Dau, H.; Kern, J.; Dobbek, H.; Zouni, A.: Structural insights into the light-driven auto-assembly process of the water oxidizing Mn4CaO5-cluster in photosystem II. , eLife 6 (2017), p. e26933/-20
doi: 10.7554/eLife.26933

Skagseth, S.; Christopeit, T.; Akhter, S.; Bayer, A.; Samuelsen, O.; Leiros, H.-K.S.: Structural Insights into TMB-1 and the Role of Residues 119 and 228 in Substrate and Inhibitor Binding. , Antimicrobial Agents and Chemotherapy 61 (2017), p. e02602-16/1-19
doi: 10.1128/AAC.02602-16

Dahms, S.O.; Jiao, G.-S.; Than, M.E.: Structural Studies Revealed Active Site Distortions of Human Furin by a Small Molecule Inhibitor. , ACS Chemical Biology 12 (2017), p. 1211-1216
doi: 10.1021/acschembio.6b01110

Lund, B.A.; Thomassen, A.M.; Olsen Carlsen, T.J.; Leiros, H.-K.S.: Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis. , Acta Crystallographica Section F - Structural Biology Communications 73 (2017), p. 579-587
doi: 10.1107/S2053230X17013838

Scaglione, A.; Fullone, M.R.; Montemiglio, L.C.; Parisi, G.; Zamparelli, C.; Vallone, B.; Savino, C.; Grgurina, I.: Structure of the adenylation domain Thr1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces sp. OH-5093-protein flexibility and molecular bases of substrate specificity. , FEBS Journal 284 (2017), p. 2981-2999
doi: 10.1111/febs.14163

Stieler, Martin: Structure-Based Design of a Blood Coagulation Factor XIII Blocker. , Uni Marburg, 2017

Barone, Matthias: Structure-optimized ProM scaffolds address Ena/VASP as a possible antimetastatic target. , Berlin, Freie Universität Berlin, Diss., 2017

Witzgall, F.; Ewert, W.; Blankenfeldt, W.: Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis. , ChemBioChem 18 (2017), p. 2045-2055
doi: 10.1002/cbic.201700374

Kalugin, Vitali: Struktur- und Funktionsanalysen von pilzlichen Zellwandproteinen der SUN- und CFEM-Proteinfamilien. , Dissertation, 2017, Philipps-Universität Marburg , 2017

Barciszewski, Jakub: Strukturalne podstawy działania ludzkiej mięśniowej fosfatazy fruktozo-1,6-bisfosforanu = Structural basis of fructose-1,6-bisphosphatase function. , Poznan, Institute of Bioorganic Chemistry, Polish Academy of Sciences, thesis, 2017

Wilk, P.; Uehlein, M.; Kalms, J.; Dobbek, H.; Mueller, U.; Weiss, M.S.: Substrate specificity and reaction mechanism of human prolidase. , FEBS Journal 284 (2017), p. 2870-2885
doi: 10.1111/febs.14158

Dolot, R.; Sobczak, M.; Mikolajczyk, B.; Nawrot, B.: Synthesis, crystallization and preliminary crystallographic analysis of a 52-nucleotide DNA/2-OMe-RNA oligomer mimicking 10-23 DNAzyme in the complex with a substrate. , Nucleosides, Nucleotides and Nucleic Acids 36 (2017), p. 292-301
doi: 10.1080/15257770.2016.1276291

Krimmer, Stefan Günter: Systematic Correlation of Structural, Thermodynamic and Residual Solvation Properties of Hydrophobic Substituents in Hydrophobic Pockets Using Thermolysin as a Case Study. , Uni Marburg, 2017

Kalms, J.; Banthiya, S.; Galemou Yoga, E.; Hamberg, M.; Holzhutter, H.-G.; Kuhn, H.; Scheerer, P.: The crystal structure of Pseudomonas aeruginosa lipoxygenase Ala420Gly mutant explains the improved oxygen affinity and the altered reaction specificity. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1862 (2017), p. 463-473
doi: 10.1016/j.bbalip.2017.01.003

Alvadia, C.M.; Sommer, T.; Bjerregaard-Andersen, K.; Damkier, H.; Montrasio, M.; Aalkjaer, C.; Morth, J.P.: The crystal structure of the regulatory domain of the human sodium-driven chloride/bicarbonate exchanger. , Scientific Reports 7 (2017), p. 12131/1-12
doi: 10.1038/s41598-017-12409-0

Usenik, A.; Renko, M.; Mihelic, M.; Lindic, N.; Borisek, J.; Perdih, A.; Pretnar, G.; Müller, U.; Turk, D.: The CWB2 cell wall-anchoring module is revealed by the crystal structures of the Clostridium difficile cell wall proteins Cwp8 and Cwp6. , Structure 25 (2017), p. 514-521
doi: 10.1016/j.str.2016.12.018

Mihelic, M.; Vlahovicek-Kahlina, K.; Renko, M.; Mesnage, S.; Dobersek, A.; Taler-Vercic, A.; Jakas, A.; Turk, D.: The mechanism behind the selection of two different cleavage sites in NAG-NAM polymers. , IUCrJ 4 (2017), p. 185-198
doi: 10.1107/S2052252517000367

Kaiser, S.; Sauer, F.; Kisker, C.: The structural and functional characterization of human RecQ4 reveals insights into its helicase mechanism. , Nature Communications 8 (2017), p. 15907/1-12
doi: 10.1038/ncomms15907

Sundriyal, S.; Moniot, S.; Mahmud, Z.; Yao, S.; Di Fruscia, P.; Reynolds, C.R.; Dexter, D.T.; Sternberg, M.J.E.; Lam, E.W.-F.; Steegborn, C.; Fuchter, M.J.: Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket. , Journal of Medicinal Chemistry 60 (2017), p. 1928-1945
doi: 10.1021/acs.jmedchem.6b01690

Zhang, W.; Eibl, C.; Weeks, A.M.; Riva, I.; Li, Y.J.; Plested, A.J.R.; Howe, J.R.: Unitary Properties of AMPA Receptors with Reduced Desensitization. , Biophysical Journal 113 (2017), p. 2218-2235
doi: 10.1016/j.bpj.2017.07.030

Kestler, Christian: Untersuchungen über die Dimerisierung der HAD-Phosphatase Chronophin. , Würzburg, Universität Würzburg, Diss., 2017

Heinzlmeir, Stephanie: When chemical proteomics meets medicinal chemistry: Guided drug discovery towards EPHA2 inhibitors. , München, Technische Universität München, Diss., 2017

Twarda-Clapa, A.; Krzanik, S.; Kubica, K.; Guzik, K.; Labuzek, B.; Neochoritis, C.G.; Khoury, K.; Kowalska, K.; Czub, M.; Dubin, G.; Domling, A.; Skalniak, L.; Holak, T.A.: 1,4,5-Trisubstituted Imidazole-Based p53-MDM2/MDMX Antagonists with Aliphatic Linkers for Conjugation with Biological Carriers. , Journal of Medicinal Chemistry 60 (2017), p. 4234-4244
doi: 10.1021/acs.jmedchem.7b00104

2016

Kromann-Hansen, T.; Oldenburg, E.; Yung, K.W.; Ghassabeh, G.H.; Muyldermans, S.; Declerck, P.J.; Huang, M.; Andreasen, P.A.; Ngo, J.C.: A Camelid-derived Antibody Fragment Targeting the Active Site of a Serine Protease Balances between Inhibitor and Substrate Behavior. , Journal of Biological Chemistry 291 (2016), p. 15156-15168
doi: 10.1074/jbc.M116.732503

Kumar, A.; Sykorova, P.; Demo, G.; Dobes, P.; Hyrsl, P.; Wimmerova, M.: A Novel Fucose-binding Lectin from Photorhabdus luminescens (PLL) with an Unusual Heptabladed beta-Propeller Tetrameric Structure. , Journal of Biological Chemistry 291 (2016), p. 25032-25049
doi: 10.1074/jbc.M115.693473

Radeva, N.; Schiebel, J.; Wang, X.; Krimmer, S.G.; Fu, K.; Stieler, M.; Ehrmann, F.R.; Metz, A.; Rickmeyer, T.; Betz, M.; Winquist, J.; Park, A.Y.; Huschmann, F.U.; Weiss, M.S.; Mueller, U.; Heine, A.; Klebe, G.: Active Site Mapping of an Aspartic Protease by Multiple Fragment Crystal Structures: Versatile Warheads To Address a Catalytic Dyad. , Journal of Medicinal Chemistry 59 (2016), p. 9743-9759
doi: 10.1021/acs.jmedchem.6b01195

Lauber, B.S.; Hardegger, L.A.; Asraful, A.K.; Lund, B.A.; Dumele, O.; Harder, M.; Kuhn, B.; Engh, R.A.; Diederich, F.: Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic. , Chemistry - A European Journal 22 (2016), p. 211-221
doi: 10.1002/chem.201503552

Goetz, F.; Roske, Y.; Schulz, M.S.; Autenrieth, K.; Bertinetti, D.; Faelber, K.; Zuehlke, K.; Kreuchwig, A.; Kennedy, E.; Krause, G.; Daumke, O.; Herberg, F.W.; Heinemann, U.; Klussmann, E.: AKAP18:PKA-RIIα structure reveals crucial anchor points for recognition of regulatory subunits of PKA. , Biochemical Journal 473 (2016), p. 1881-1894
doi: 10.1042/BCJ20160242

Kang, Y.; Gohlke, U.; Engstrom, O.; Hamark, C.; Scheidt, T.; Kunstrnann, S.; Heinemann, U.; Widmalm, G.; Santer, M.; Barbirz, S.: Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions. , Journal of the American Chemical Society 138 (2016), p. 9109-9118
doi: 10.1021/jacs.6b00240

Schulze, J.O.; Saladino, G.; Busschots, K.; Neimanis, S.; Su, E.; Odadzic, D.; Zeuzem, S.; Hindie, V.; Herbrand, A.K.; Lisa, M.N.; Alzari, P.M.; Gervasio, F.L.; Biondi, R.M.: Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. , Cell Chemical Biology 23 (2016), p. 1193-1205
doi: 10.1016/j.chembiol.2016.06.017

Ivan, T.; Enkvist, E.; Viira, B.; Manoharan, G.B.; Raidaru, G.; Pflug, A.; Alam, K.A.; Zaccolo, M.; Engh, R.A.; Uri, A.: Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. , Bioconjugate Chemistry 27 (2016), p. 1900-1910
doi: 10.1021/acs.bioconjchem.6b00293

Kasaragod, Vikram Babu: Biochemical and Structural Basis for the Moonlighting Function of Gephyrin. , Dissertation, Würzburg, Universität Würzburg, 2016

Pfahler, Juian: Biochemical characterization of the human proteins DBC1 and PARP-1 and of their potential interaction. , Bayreuth, Universität, Master, 2016

Füller, J.; Röpke, R.; Krausze, J.; Rennhack, K.E.; Daniel, N.P.; Blankenfeldt, W.; Schulz, S.; Jahn, D.; Moser, J.: Biosynthesis of Violacein, Structure and Function of l-Tryptophan Oxidase VioA from Chromobacterium violaceum. , Journal of Biological Chemistry 291 (2016), p. 20068-20084
doi: 10.1074/jbc.M116.741561

Kleinboelting, S.; Ramos-Espiritu, L.; Buck, H.; Colis, L.; van den Heuvel, J.; Fraser Glickman, J.; Levin, L.R.; Buck, J.; Steegborn, C.: Bithionol Potently Inhibits Human Soluble Adenylyl Cyclase through Binding to the Allosteric Activator Site. , Journal of Biological Chemistry 291 (2016), p. 9776-9784
doi: 10.1074/jbc.M115.708255

Bumba, L.; Masin, J.; Macek, P.; Wald, T.; Motlova, L.; Bibova, I.; Klimova, N.; Bednarova, L.; Veverka, V.; Kachala, M.; Svergun, D.I.; Barinka, C.; Sebo, P.: Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts. , Molecular Cell 62 (2016), p. 47-62
doi: 10.1016/j.molcel.2016.03.018

Nikulin, A.; Mikhailina, A.; Lekontseva, N.; Balobanov, V.; Nikonova, E.; Tishchenko, S.: Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii. , Journal of Biomolecular Structure and Dynamics 35 (2016), p. 1615-1628
doi: 10.1080/07391102.2016.1189849

Heinzlmeir, S.; Kudlinzki, D.; Sreeramulu, S.; Klaeger, S.; Gande, S.L.; Linhard, V.; Wilhelm, M.; Qiao, H.; Helm, D.; Ruprecht, B.; Saxena, K.; Médard, G.; Schwalbe, H.; Kuster, B.: Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. , ACS Chemical Biology 11 (2016), p. 3400-3411
doi: 10.1021/acschembio.6b00709

Ayaz, P.; Andres, D.; Kwiatkowski, D.A.; Kolbe, C.C.; Lienau, P.; Siemeister, G.; Lucking, U.; Stegmann, C.M.: Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9. , ACS Chemical Biology 11 (2016), p. 1710-1719
doi: 10.1021/acschembio.6b00074

Yoga-Galemou, Etienne: Crystal structure analysis of the bacterial lipoxygenase from Pseudomonas aeruginosa. , Berlin, Freie Universität Berlin, Master, 2016

Strzelczyk, P.; Bujacz, G.: Crystal structure and ligand affinity of avidin in the complex with 4'-hydroxyazobenzene-2-carboxylic acid. , Journal of Molecular Structure 1109 (2016), p. 232-238
doi: 10.1016/j.molstruc.2016.01.013

Bock, T.; Mueller, R.; Blankenfeldt, W.: Crystal structure of AibC, a reductase involved in alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 652-658
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Koch, C.; Neumann, P.; Valerius, O.; Feussner, I.; Ficner, R.: Crystal Structure of Alcohol Oxidase from Pichia pastoris. , PLoS One 11 (2016), p. e0149846/1-17
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Willensky, S.; Bar-Rogovsky, H.; Bignon, E.A.; Tischler, N.D.; Modis, Y.; Dessau, M.: Crystal Structure of Glycoprotein C from a Hantavirus in the Post-fusion Conformation. , PLoS Pathogens 12 (2016), p. e1005948/1-25
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Mikulecky, P.; Zahradnik, J.; Kolenko, P.; Cerny, J.; Charnavets, T.; Kolarova, L.; Necasova, I.; Pham, P. N.; Schneider, B.: Crystal structure of human interferon-gamma receptor 2 reveals the structural basis for receptor specificity. , Acta Crystallographica Section D - Structural biology 72 (2016), p. 1017-1025
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Bock, T.; Kasten, J.; Mueller, R.; Blankenfeldt, W.: Crystal Structure of the HMG-CoA Synthase MvaS from the Gram-Negative Bacterium Myxococcus xanthus. , ChemBioChem 17 (2016), p. 1257-1262
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Lei, J.; Hansen, G.; Nitsche, C.; Klein, C.D.; Zhang, L.; Hilgenfeld, R.: Crystal structure of Zika virus NS2B-NS3 protease in complex with a boronate inhibitor. , Science 353 (2016), p. 503-505
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Eisenreichova, A.; Klima, M.; Boura, E.: Crystal structures of a yeast 14-3-3 protein from Lachancea thermotolerans in the unliganded form and bound to a human lipid kinase PI4KB-derived peptide reveal high evolutionary conservation. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 799-803
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Fillenberg, S.B.; Friess, M.D.; Körner, S.; Boeckmann, R.A.; Muller, Y.A.: Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors. , PLoS One 11 (2016), p. e0157691/1-23
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Mills, S.J.; Silvander, C.; Cozier, G.; Tresaugues, L.; Nordlund, P.; Potter, B.V.: Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase INPP5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family. , Biochemistry 55 (2016), p. 1384-1397
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Sliwiak, J.; Dolot, R.; Michalska, K.; Szpotkowski, K.; Bujacz, G.; Sikorski, M.; Jaskolski, M.: Crystallographic and CD probing of ligand-induced conformational changes in a plant PR-10 protein. , Journal of Structural Biology 193 (2016), p. 55-66
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Eggert, E.; Hillig, R.C.; Kohr, S.; Stockigt, D.; Weiske, J.; Barak, N.; Mowat, J.; Brumby, T.; Christ, C.D.; Ter Laak, A.; Lang, T.; Fernandez-Montalvan, A.E.; Badock, V.; Weinmann, H.; Hartung, I.V.; Barsyte-Lovejoy, D.; Szewczyk, M.; Kennedy, S.; Li, F.; Vedadi, M.; Brown, P.J.; Santhakumar, V.; Arrowsmith, C.H.; Stellfeld, T.; Stresemann, C.: Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. , Journal of Medicinal Chemistry 59 (2016), p. 4578-4600
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Ferreira de Freitas, R.; Eram, M.S.; Szewczyk, M.M.; Steuber, H.; Smil, D.; Wu, H.; Li, F.; Senisterra, G.; Dong, A.; Brown, P.J.; Hitchcock, M.; Moosmayer, D.; Stegmann, C.M.; Egner, U.; Arrowsmith, C.; Barsyte-Lovejoy, D.; Vedadi, M.; Schapira, M.: Discovery of a Potent Class I Protein Arginine Methyltransferase Fragment Inhibitor. , European Journal of Medicinal Chemistry 59 (2016), p. 1176-1183
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Ramos-Espiritu, L.; Kleinboelting, S.; Navarrete, F.A.; Alvau, A.; Visconti, P.E.; Valsecchi, F.; Starkov, A.; Manfredi, G.; Buck, H.; Adura, C.; Zippin, J.H.; van den Heuvel, J.; Glickman, J.F.; Steegborn, C.; Levin, L.R.; Buck, J.: Discovery of LRE1 as a specific and allosteric inhibitor of soluble adenylyl cyclase. , Nature Chemical Biology 12 (2016), p. 838-844
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Kutin, Y.; Srinivas, V.; Fritz, M.; Kositzki, R.; Shafaat, H.S.; Birrell, J.; Bill, E.; Haumann, M.; Lubitz, W.; Högbom, M.; Griese, J.J.; Cox, N.: Divergent assembly mechanisms of the manganese/iron cofactors in R2lox and R2c proteins. , Journal of Inorganic Biochemistry 162 (2016), p. 164–177
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Graczer, E.; Szimler, T.; Garamszegi, A.; Konarev, P.V.; Labas, A.; Olah, J.; Pallo, A.; Svergun, D.I.; Merli, A.; Zavodszky, P.; Weiss, M.S.; Vast, M.: Dual Role of the Active Site Residues of Thermus thermophilus 3-Isopropylmalate Dehydrogenase: Chemical Catalysis and Domain Closure. , Biochemistry 55 (2016), p. 560-574
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Baranovic, J.; Chebli, M.; Salazar, H.; Carbone, A.L.; Faelber, K.; Lau, A.J.; Daumke, O.; Plested, A.J.R.: Dynamics of the ligand binding domain layer during AMPA receptor activation. , Biophysical Journal 110 (2016), p. 896-911
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Cramer, J.; Krimmer, S.G.; Fridh, V.; Wulsdorf, T.; Karlsson, R.; Heine, A.; Klebe, G.: Elucidating the Origin of Long Residence Time Binding for Inhibitors of the Metalloprotease Thermolysin. , ACS Chemical Biology 12 (2016), p. 225-233
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Brezovsky, J.; Babkova, P.; Degtjarik, O.; Fortova, A.; Gora, A.; Iermak, I.; Rezacova, P.; Dvorak, P.; Smatanova, I.K.; Prokop, Z.; Chaloupkova, R.; Damborsky, J.: Engineering a de Novo Transport Tunnel. , ACS Catalysis 6 (2016), p. 7597-7610
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Radeva, N.; Krimmer, S.G.; Stieler, M.; Fu, K.; Wang, X.; Ehrmann, F.R.; Metz, A.; Huschmann, F.U.; Weiss, M.S.; Mueller, U.; Schiebel, J.; Heine, A.; Klebe, G.: Experimental Active-Site Mapping by Fragments - Hot Spots Remote from the Catalytic Center of Endothiapepsin. , Journal of Medicinal Chemistry 59 (2016), p. 7561-7575
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Gande, S.L.; Saxena, K.; Sreeramulu, S.; Linhard, V.; Kudlinzki, D.; Heinzlmeir, S.; Reichert, A.J.; Skerra, A.; Kuster, B.; Schwalbe, H.: Expression and Purification of EPHA2 Tyrosine Kinase Domain for Crystallographic and NMR Studies. , ChemBioChem 17 (2016), p. 2257-2263
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Mondal, M.; Radeva, N.; Fanlo-Virgos, H.; Otto, S.; Klebe, G.; Hirsch, A.K.: Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry. , Angewandte Chemie - International Edition 55 (2016), p. 9422-9426
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Radeva, Nedyalka: From Active-Site Mapping to Lead Discovery using Fragment-based Approaches on the Aspartic protease Endothiapepsin. , Uni Marburg, 2016

Gerstner, C.; Dubnovitsky, A.; Sandin, C.; Kozhukh, G.; Uchtenhagen, H.; James, E.A.; Rönnelid, J.; Ytterberg, A.J.; Pieper, J.; Reed, E.; Tandre, C.; Rieck, M.; Zubarev, R.A.; Rönnblom, L.; Sandalova, T.; Buckner, J.H.; Achour, A.; Malmström, V.: Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis. , Frontiers in Immunology 7 (2016), p. 494-506
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Le Cong, Karoline-Luisa: Herstellung, Kristallisation und Strukturaufklärung von bovinem Rhodopsin im Komplex mit verschiedenen von G-Proteinen abgeleiteten Peptiden. , Berlin, Freie Universität Berlin, Bachelor, 2016

Schiebel, J.; Krimmer, S.G.; Röwer, K.; Knörlein, A.; Wang, X.; Park, A.Y.; Stieler, M.; Ehrmann, F.R.; Fu, K.; Radeva, N.; Krug, M.; Huschmann, F.U.; Glöckner, S.; Weiss, M.S.; Mueller, U.; Klebe, G.; Heine, A.: High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. , Structure 24 (2016), p. 1398-1409
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Brautigam, L.; Pudelko, L.; Jemth, A.-S.; Gad, H.; Narwal, M.; Gustafsson, R.; Karsten, S.; Puigvert, J.C.; Homan, E.; Berndt, C.; Warpman Berglund, U.; Stenmark, P.; Helleday, T.: Hypoxic Signaling and the Cellular Redox Tumor Environment Determine Sensitivity to MTH1 Inhibition. , Cancer Research 76 (2016), p. 2366-2375
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Brunner, K.; Maric, S.; Reshma, R.S.; Almqvist, H.; Seashore-Ludlow, B.; Gustavsson, A.-L.; Poyraz, O.; Yogeeswari, P.; Lundback, T.; Vallin, M.; Sriram, D.; Schnell, R.; Schneider, G.: Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis. , Journal of Medicinal Chemistry 59 (2016), p. 6848-6859
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Wieczorek, M.; Sticht, J.; Stolzenberg, S.; Günther, S.; Wehmeyer, C.; El Habre, Z.; Alvaro-Benito, M.; Noe, F.; Freund, C.: MHC class II complexes sample intermediate states along the peptide exchange pathway. , Nature Communications 7 (2016), p. 13224/1-13
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Cretu, C.; Schmitzova, J.; Ponce-Salvatierra, A.; Dybkov, O.; De laurentiis, E.I.; Sharma, K.; Will, C.L.; Urlaub, H.; Luehrmann, R.; Pena, V.: Molecular Architecture of SF3b and Structural Consequences of Its Cancer-Related Mutations. , Molecular Cell 64 (2016), p. 307-319
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Sporny, M.; Guez-Haddad, J.; Waterman, D.G.; Isupov, M.N.; Opatowsky, Y.: Molecular symmetry-constrained systematic search approach to structure solution of the coiled-coil SRGAP2 F-BARx domain. , Acta Crystallographica Section D - Structural biology 72 (2016), p. 1241-1253
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Valerie, N.C.; Hagenkort, A.; Page, B.D.; Masuyer, G.; Rehling, D.; Carter, M.; Bevc, L.; Herr, P.; Homan, E.; Sheppard, N.G.; Stenmark, P.; Jemth, A.S.; Helleday, T.: NUDT15 hydrolyzes 6-thio-deoxyGTP to mediate the anticancer efficacy of 6-thioguanine. , Cancer Research 76 (2016), p. 5501–5511
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Hnizda, A.; Skerlova, J.; Fabry, M.; Pachl, P.; Sinalova, M.; Vrzal, L.; Man, P.; Novak, P.; Rezacova, P.; Veverka, V.: Oligomeric interface modulation causes misregulation of purine 5 '-nucleotidase in relapsed leukemia. , BMC Biology 14 (2016), p. 91
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Rothweiler, U.; Stensen, W.; Brandsdal, B.O.; Isaksson, J.; Leeson, F.A.; Engh, R.A.; Svendsen, J.S.: Probing the ATP-binding pocket of protein kinase DYRK1A with benzothiazole fragment molecules. , Journal of Medicinal Chemistry 59 (2016), p. 9814-9824
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Zhang, Linlin: Proteases of Emerging Viruses as Targets for Broad-Spectrum Inhibitors. , Lübeck, Universität zu Lübeck, Diss., 2016

Arumughan, A.; Roske, Y.; Barth, C.; Forero, L.L.; Bravo-Rodriguez, K.; Redel, A.; Kostova, S.; McShane, E.; Opitz, R.; Faelber, K.; Rau, K.; Mielke, T.; Daumke, O.; Selbach, M.; Sanchez-Garcia, E.; Rocks, O.; Panakova, D.; Heinemann, U.; Wanker, E.E.: Quantitative interaction mapping reveals an extended UBX domain in ASPL that disrupts functional p97 hexamers. , Nature Communications 7 (2016), p. 13047/1-13
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Degtjarik, O.; Brynda, J.; Ettrichova, O.; Kuty, M.; Sinha, D.; Smatanova, I.K.; Carey, J.; Ettrich, R.; Reha, D.: Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA. , The Journal of Physical Chemistry B 120 (2016), p. 4867-4877
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Mejdrova, I.; Chalupska, D.; Plackova, P.; Mueller, C.; Sala, M.; Klima, M.; Baumlova, A.; Hrebabecky, H.; Prochazkova, E.; Dejmek, M.; Strunin, D.; Weber, J.; Lee, G.; Matousova, M.; Mertlikova-Kaiserova, H.; Ziebuhr, J.; Birkus, G.; Boura, E.; Nencka, R.: Rational Design of Novel Highly Potent and Selective Phosphatidylinositol 4-Kinase III beta (PI4KB) Inhibitors as Broad-Spectrum Antiviral Agents and Tools for Chemical Biology. , Journal of Medicinal Chemistry 60 (2016), p. 100-118
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Krimmer, S.G.; Cramer, J.; Betz, M.; Fridh, V.; Karlsson, R.; Heine, A.; Klebe, G.: Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands. , Journal of Medicinal Chemistry 59 (2016), p. 10530-10548
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Ilari, A.; Pescatori, L.; Di Santo, R.; Battistoni, A.; Ammendola, S.; Falconi, M.; Berlutti, F.; Valenti, P.; Chiancone, E.: Salmonella enterica serovar Typhimurium growth is inhibited by the concomitant binding of Zn(II) and a pyrrolyl-hydroxamate to ZnuA, the soluble component of the ZnuABC transporter. , Biochimica et Biophysica Acta - General Subjects 1860 (2016), p. 534-541
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Lund, B.A.; Christopeit, T.; Guttormsen, Y.; Bayer, A.; Leiros, H.-K.S.: Screening and Design of Inhibitor Scaffolds for the Antibiotic Resistance Oxacillinase-48 (OXA-48) through Surface Plasmon Resonance Screening. , Journal of Medicinal Chemistry 59 (2016), p. 5542-5554
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Neckles, C.; Pschibul, A.; Lai, C.; Hirschbeck, M.; Kuper, J.; Davoodi, S.; Zou, J.; Liu, N.; Pan, P.; Shah, S.; Daryaee, F.; Bommineni, G.R.; Lai, C.; Simmerling, C.; Kisker, C.; Tonge, P.J.: Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase. , Biochemistry 55 (2016), p. 2992-3006
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Kouznetsova, E.; Kanno, T.; Karlberg, T.; Thorsell, A.-G.; Wisniewska, M.; Kursula, P.; Sjögren, C.; Schüler, H.: Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis. , Structure 24 (2016), p. 789-796
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Werten, S.; Kohler, C.; Bayer, N.J.; Steinmetz, I.; Hinrichs, W.: Structural analysis and knock-out of a Burkholderia pseudomallei homolog of the eukaryotic transcription coactivator PC4. , Gene 577 (2016), p. 140-147
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Schulte, Kathrin Wiebke: Structural and biochemical studies on the aryl hydrocarbon receptor and on the immunity-related GTPase Irga6. , Berlin, Freie Universität Berlin, Diss., 2016

Koval, T.; Ostergaard, L.H.; Lehmbeck, J.; Norgaard, A.; Lipovova, P.; Duskova, J.; Skalova, T.; Trundova, M.; Kolenko, P.; Fejfarova, K.; Stransky, J.; Svecova, L.; Hasek, J.; Dohnalek, J.: Structural and Catalytic Properties of S1 Nuclease from Aspergillus oryzae Responsible for Substrate Recognition, Cleavage, Non-Specificity, and Inhibition. , PLoS One 11 (2016), p. e0168832/1-25
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Tauchert, M.J.; Fourmann, J.-B.; Christian, H.; Luehrmann, R.; Ficner, R.: Structural and functional analysis of the RNA helicase Prp43 from the thermophilic eukaryote Chaetomium thermophilum. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 112-120
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Banthiya, S.; Kalms, J.; Yoga Galemou, E.; Ivanov, I.; Carpena, X.; Hamberg, M.; Kuhn, H.; Scheerer, P.: Structural and functional basis of phospholipid oxygenase activity of bacterial lipoxygenase from Pseudomonas aeruginosa. , Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids 1861 (2016), p. 1681-1692
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Hall, M.; Grundstrom, C.; Begum, A.; Lindberg, M.J.; Sauer, U.H.; Almqvist, F.; Johansson, J.; Sauer-Eriksson, A.E.: Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 113 (2016), p. 14733-14738
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Thorsell, A.G.; Ekblad, T.; Karlberg, T.; Löw, M.; Pinto, A.F.; Tresaugues, L.; Moche, M.; Cohen, M.S.; Schüler, H.: Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors. , Journal of Medicinal Chemistry 60 (2016), p. 1262-1271
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Hänzelmann, P.; Schindelin, H.: Structural Basis of ATP Hydrolysis and Intersubunit Signaling in the AAA+ ATPase p97. , Structure 24 (2016), p. 127-139
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Chebli, Miriam: Structural, biochemical and functional analysis of glutamate receptors and the auxiliary protein stargazin. , Berlin, Freie Universität Berlin, Diss., 2016

Balaev, V.V.; Lashkov, A.A.; Gabdulkhakov, A.G.; Dontsova, M.V.; Seregina, T.A.; Mironov, A.S.; Betzel, C.; Mikhailov, A.M.: Structural investigation of the thymidine phosphorylase from Salmonella typhimurium in the unliganded state and its complexes with thymidine and uridine. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 224-233
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Revtovich, S.; Anufrieva, N.; Morozova, E.; Kulikova, V.; Nikulin, A.; Demidkina, T.: Structure of methionine gamma-lyase from Clostridium sporogenes. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 65-71
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Fiebig, D.; Schmelz, S.; Zindel, S.; Ehret, V.; Beck, J.; Ebenig, A.; Ehret, M.; Fröls, S.; Pfeifer, F.; Kolmar, H.; Fuchsbauer, H.L.; Scrima, A.: Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase. , Journal of Biological Chemistry 291 (2016), p. 20417-20426
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Olal, D.; Daumke, O.: Structure of the Hantavirus Nucleoprotein Provides Insights into the Mechanism of RNA Encapsidation. , Cell Reports 14 (2016), p. 2092-2099
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Zech, R.; Kiontke, S.; Mueller, U.; Oeckinghaus, A.; Kuemmel, D.: Structure of the Tuberous Sclerosis Complex 2 (TSC2) N Terminus Provides Insight into Complex Assembly and Tuberous Sclerosis Pathogenesis. , Journal of Biological Chemistry 291 (2016), p. 20008-20020
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Dahms, S.O.; Arciniega, M.; Steinmetzer, T.; Huber, R.; Than, M.E.: Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 113 (2016), p. 11196-11201
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Kundu, P.; Biswas, R.; Mukherjee, S.; Reinhard, L.; Dutta, A.; Mueller-Dieckmann, J.; Weiss, M.S.; Pal, N.K.; Das, A.K.: Structure-based Epitope Mapping of Mycobacterium tuberculosis Secretary Antigen MTC28. , Journal of Biological Chemistry 291 (2016), p. 13943-13954
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Huschmann, F.U.; Linnik, J.; Sparta, K.; Ühlein, M.; Wang, X.; Metz, A.; Schiebel, J.; Heine, A.; Klebe, G.; Weiss, M.S.; Mueller, U.: Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 346-355
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Ehrmann, Frederik Rainer: Strukturbasierte Entwicklung und Charakterisierung von Inhibitoren der TGT,ein mögliches Ziel zur Therapie der Bakterienruhr. , Uni Marburg, 2016

Weiße, Renato Horst-Joachim: Strukturelle Untersuchungen zur Funktion der Acetyl-CoA-Synthetase 1 aus Candidatus Korarchaeum cryptofilum und Charakterisierung der Struktur der Toll/Interleukin-1-Rezeptor-homologen Domäne aus Hydra magnipapillata TRR-2. , Kiel, Christian-Albrechts-Universität zu Kiel, Diss., 2016

Nagano, S.; Scheerer, P.; Zubow, K.; Michael, N.; Inomata, K.; Lamparter, T.; Krauss, N.: The Crystal Structures of the N-terminal Photosensory Core Module of Agrobacterium Phytochrome Agp1 as Parallel and Anti-parallel Dimers. , Journal of Biological Chemistry 291 (2016), p. 20674-20691
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Schulte, K.; Pawlowski, N.; Faelber, K.; Fröhlich, C.; Howard, J.; Daumke, O.: The immunity-related GTPase Irga6 dimerizes in a parallel head-to-head fashion. , BMC Biology 14 (2016), p. 14/1-8
doi: 10.1186/s12915-016-0236-7

Hafstrand, I.; Doorduijn, E.M.; Doganay Duru, A.; Buratto, J.; Cunha Oliveira, C.; Sandalova, T.; van Hall, T.; Achour, A.: The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer. , Journal of Immunology 196 (2016), p. 2327-2334
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Gerlach, M.; Müller, U.; Weiss, M.S.: The MX Beamlines BL14.1-3 at BESSY II. , Journal of Large Scale Research Facilities JLSRF 2 (2016), p. 2-47
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Hegemann, J.D.; Fage, C.D.; Zhu, S.; Harms, K.; Di Leva, F.S.; Novellino, E.; Marinelli, L.; Marahiel, M.A.: The ring residue proline 8 is crucial for the thermal stability of the lasso peptide caulosegnin II. , Molecular BioSystems 12 (2016), p. 1106-1109
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Baumlova, A.; Gregor, J.; Boura, E.: The Structural Basis for Calcium Inhibition of Lipid Kinase PI4K II alpha and Comparison With the Apo State. , Physiological Research 65 (2016), p. 987-993

Lim, S.M.; Yeung, K.; Tresaugues, L.; Ling, T.H.; Nordlund, P.: The structure and catalytic mechanism of human sphingomyelin phosphodiesterase like 3a-an acid sphingomyelinase homologue with a novel nucleotide hydrolase activity. , FEBS Journal 283 (2016), p. 1107-1123
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Dahms, S.O.; Creemers, J.W.M.; Schaub, Y.; Bourenkov, G.P.; Zoegg, T.; Brandstetter, H.; Than, M.E.: The structure of a furin-antibody complex explains non-competitive inhibition by steric exclusion of substrate conformers. , Scientific Reports 6 (2016), p. 34303/1-7
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Bock, T.; Reichelt, J.; Müller, R.; Blankenfeldt, W.: The Structure of LiuC, a 3-Hydroxy-3-Methylglutaconyl CoA Dehydratase Involved in Isovaleryl-CoA Biosynthesis in Myxococcus xanthus, Reveals Insights into Specificity and Catalysis. , ChemBioChem 17 (2016), p. 1658-1664
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Christopeit, T.; Yang, K.W.; Yang, S.K.; Leiros, H.K.S.: The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor. , Acta Crystallographica Section F - Structural Biology Communications 72 (2016), p. 813-819
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Ciaccafava, A.; Tombolelli, D.; Domnik, L.; Fesseler, J.; Jeoung, J.H.; Dobbek, H.; Mroginski, M.A.; Zebger, I.; Hildebrandt, P.: When the inhibitor tells more than the substrate: the cyanide-bound state of a carbon monoxide dehydrogenase. , Chemical Science 7 (2016), p. 3162-3171
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Sparta, K.; Krug, M.; Heinemann, U.; Mueller, U.; Weiss, M.S.: XDSAPP 2.0. , Journal of Applied Crystallography 49 (2016), p. 1085-1092
doi: 10.1107/S1600576716004416

2015

Opitz, R.; Mueller, M.; Reuter, C.; Barone, M.; Soicke, A.; Roske, Y.; Piotukh, K.; Huy, P.; Beerbaum, M.; Wiesner, B.; Beyermann, M.; Schmieder, P.; Freund, C.; Volkmer, R.; Oschkinat, H.; Schmalz, H.-G.; Kuehne, R.: A modular toolkit to inhibit proline-rich motif-mediated protein-protein interactions. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 112 (2015), p. 5011-5016
doi: 10.1073/pnas.1422054112

Ulbricht, D.; Pippel, J.; Schultz, S.; Meier, R.; Straeter, N.; Heiker, J.T.: A unique serpin P1 ' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). , Biochemical Journal 470 (2015), p. 357-367
doi: 10.1042/BJ20150643

Banerjee, A.; Adolph, R.S.; Gopalakrishnapai, J.; Kleinboelting, S.; Emmerich, C.; Steegborn, C.; Visweswariah, S.S.: A Universal Stress Protein (USP) in Mycobacteria Binds cAMP. , Journal of Biological Chemistry 290 (2015), p. 12731-12743
doi: 10.1074/jbc.M115.644856

Stellmacher, L.; Sandalova, T.; Leptihn, S.; Schneider, G.; Sprenger, G.A.; Samland, A.K.: Acid-Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase. , ChemCatChem 7 (2015), p. 3140-3151
doi: 10.1002/cctc.201500478

Gorgel, M.; Boggild, A.; Jensen Ulstrup, J.; Weiss, M.S.; Mueller, U.; Nissen, P.; Boesen, T.: Against the odds? De novo structure determination of a pilin with two cysteine residues by sulfur SAD. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 1095-1101
doi: 10.1107/S1399004715003272

Manszewski, T.; Singh, K.; Imiolczyk, B.; Jaskolski, M.: An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 2422-2432
doi: 10.1107/S1399004715018659

Schiebel, J.; Chang, A.; Merget, B.; Bommineni, G.R.; Yu, W.; Spagnuolo, L.A.; Baxter, M.V.; Tareilus, M.; Tonge, P.J.; Kisker, C.; Sotriffer, C.A.: An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. , Biochemistry 54 (2015), p. 1943–1955
doi: 10.1021/bi5014358

Kuhle, B.; Eulig, N.K.; Ficner, R.: Architecture of the eIF2B regulatory subcomplex and its implications for the regulation of guanine nucleotide exchange on eIF2. , Nucleic Acids Research 43 (2015), p. 9994-10014
doi: 10.1093/nar/gkv930

Arkhipova, V.; Stolboushkina, E.; Kravchenko, O.; Kljashtorny, V.; Gabdulkhakov, A.; Garber, M.; Nikonov, S.; Maertens, B.; Blaesi, U.; Nikonov, O.: Binding of the 5 '-Triphosphate End of mRNA to the gamma-Subunit of Translation Initiation Factor 2 of the Crenarchaeon Sulfolobus solfataricus. , Journal of Molecular Biology : jmb 427 (2015), p. 3086-3095
doi: 10.1016/j.jmb.2015.07.020

Knobloch, Gunnar: Biochemical and structural characterization of chronophin. , Würzburg, Universität Würzburg, Diss., 2015

Meese, Sandra: Biochemical studies of the synaptic protein otoferlin. , Uni Göttingen, 2015

Fesseler, Jochen Martin: Biochemische und strukturelle Untersuchungen der Kohlenmonoxid-Dehydrogenasen CODH-II und CODH-V aus Carboxydothermus hydrogenoformans. , Berlin, Humboldt Universität, Diss., 2015

Zunke, Friederike: Characterisation of the Lysosomal Integral Membrane Protein Type-2 (LIMP-2) and its interaction with b-Glucocerebrosidase: implications for Parkinson and Gaucher Disease. , Kiel, Christian-Albrechts-Universität zu Kiel, Diss., 2015

Bujacz, A.; Rutkiewicz-Krotewicz, M.; Nowakowska-Sapota, K.; Turkiewicz, M.: Crystal structure and enzymatic properties of a broad substrate-specificity psychrophilic aminotransferase from the Antarctic soil bacterium Psychrobacter sp B6. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 632-645
doi: 10.1107/S1399004714028016

Carter, M.; Jemth, A.S.; Hagenkort, A.; Page, B.D.G.; Gustafsson, R.; Griese, J.J.; Gad, H.; Valerie, N.C.K.; Desroses, M.; Boström, J.; Warpman Berglund, U.; Helleday, T.; Stenmark, P.: Crystal structure, biochemical and cellular activities demonstrate separate functions of MTH1 and MTH2. , Nature Communications 6 (2015), p. 7871/1-10
doi: 10.1038/ncomms8871

Kloos, M.; Brueser, A.; Kirchberger, J.; Schoeneberg, T.; Straeter, N.: Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation. , Biochemical Journal 469 (2015), p. 421-432
doi: 10.1042/BJ20150251

Skaar, K.; Claesson, M.; Odegrip, R.; Högbom, M.; Haggard-Ljungquist, E.; Stenmark, P.: Crystal structure of the bacteriophage P2 integrase catalytic domain. , FEBS Letters 589 (2015), p. 3556-3563
doi: 10.1016/j.febslet.2015.09.026

Walzer, S.A.; Egerer-Sieber, C.; Sticht, H.; Sevvana, M.; Hohl, K.; Milbradt, J.; Muller, Y.A.; Marschall, M.: Crystal Structure of the Human Cytomegalovirus pUL50-pUL53 Core Nuclear Egress Complex Provides Insight into a Unique Assembly Scaffold for Virus-Host Protein Interactions. , Journal of Biological Chemistry 290 (2015), p. 27452-27458
doi: 10.1074/jbc.C115.686527

Poyraz, O.; Brunner, K.; Lohkamp, B.; Axelsson, H.; Hammarstrom, L.G.J.; Schnell, R.; Schneider, G.: Crystal Structures of the Kinase Domain of the Sulfate-Activating Complex in Mycobacterium tuberculosis. , PLoS One 10 (2015), p. e0121494/1-19
doi: 10.1371/journal.pone.0121494

Schmitt, Andreas: Crystallization and biophysical characterization of spliceosomal protein complexes. , Uni Göttingen, 2015

Tishchenko, S.; Gabdulkhakov, A.; Trubitsina, L.; Lisov, A.; Zakharova, M.; Leontievsky, A.: Crystallization and X-ray diffraction studies of a two-domain laccase from Streptomyces griseoflavus. , Acta Crystallographica Section F - Structural Biology Communications 71 (2015), p. 1200-1204
doi: 10.1107/S2053230X15014375

Iermak, I.; Degtjarik, O.; Steffler, F.; Sieber, V.; Kuta Smatanova, I.: Crystallization behaviour of glyceraldehyde dehydrogenase from Thermoplasma acidophilum. , Acta Crystallographica Section F - Structural Biology Communications 71 (2015), p. 1475-80
doi: 10.1107/S2053230X15020270

Stevens, Tammo: Crystallographic Investigations on the Photosensory Core Module of Agrobacterium tumefaciens Phytochrome 2 (Agp2). , Berlin, Freie Universität Berlin, Bachelor, 2015

Piontek, Alexander: Deciphering the Catalytic Mechanism of the Zn Enzyme Glutaminyl Cyclase and the Deduction of Transition-State Analog Inhibitors. , Uni Göttingen, 2015

Maric, H.M.; Kasaragod, V.B.; Haugaard-Kedstrom, L.; Hausrat, T.J.; Kneussel, M.; Schindelin, H.; Stromgaard, K.: Design and Synthesis of High-Affinity Dimeric Inhibitors Targeting the Interactions between Gephyrin and Inhibitory Neurotransmitter Receptors. , Angewandte Chemie - International Edition 54 (2015), p. 490-494
doi: 10.1002/anie.201409043

Tykvart, J.; Schimer, J.; Jancarik, A.; Barinkova, J.; Navratil, V.; Starkova, J.; Sramkova, K.; Konvalinka, J.; Majer, P.; Sacha, P.: Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II. , Journal of Medicinal Chemistry 58 (2015), p. 4357-4363
doi: 10.1021/acs.jmedchem.5b00278

Borišek, J.; Vizovišek, M.; Sosnowski, P.; Turk, B.; Turk, D.; Mohar, B.: Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors. , Journal of Medicinal Chemistry 58 (2015), p. 6928-6937
doi: 10.1021/acs.jmedchem.5b00746

Zühlsdorf, M.; Werten, S.; Klupp, B.G.; Palm, G.J.; Mettenleiter, T.C.; Hinrichs, W.: Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin pUL26N, a Herpesvirus Serine Protease. , PLoS Pathogens 11 (2015), p. e1005045/1-23
doi: 10.1371/journal.ppat.1005045

Kroon, E.; Schulze, J.O.; Suess, E.; Camacho, C.J.; Biondi, R.M.; Domling, A.: Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods. , Angewandte Chemie - International Edition 54 (2015), p. 13933-13936
doi: 10.1002/anie.201506310

Christopeit, T.; Carlsen, T.J.O.; Helland, R.; Leiros, H.-K.S.: Discovery of Novel Inhibitor Scaffolds against the Metallo-beta-lactamase VIM-2 by Surface Plasmon Resonance (SPR) Based Fragment Screening. , Journal of Medicinal Chemistry 58 (2015), p. 8671-8682
doi: 10.1021/acs.jmedchem.5b01289

Vit, A.; Misson, L.; Blankenfeldt, W.; Seebeck, F.P.: Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis. , ChemBioChem 16 (2015), p. 119-125
doi: 10.1002/cbic.201402522

Schaefer, C.M.; Lu, R.; Nesbitt, N.M.; Schiebel, J.; Sampson, N.S.; Kisker, C.: FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis. , Structure 23 (2015), p. 21-33
doi: 10.1016/j.str.2014.10.010

Skalova, T.; Blaha, J.; Harlos, K.; Duskova, J.; Koval', T.; Stransky, J.; Hasek, J.; Vanek, O.; Dohnalek, J.: Four crystal structures of human LLT1, a ligand of human NKR-P1, in varied glycosylation and oligomerization states. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 578-591
doi: 10.1107/S1399004714027928

Graczer, E.; Pallo, A.; Olah, J.; Szimler, T.; Konarev, P.V.; Svergun, D.I.; Merli, A.; Zavodszky, P.; Weiss, M.S.; Vas, M.: Glutamate 270 plays an essential role in K⁺-activation and domain closure of Thermus thermophilus isopropylmalate dehydrogenase. , FEBS Letters 589 (2015), p. 240-245
doi: 10.1016/j.febslet.2014.12.005

Grabowska, M.; Jagielska, E.; Czapinska, H.; Bochtler, M.; Sabala, I.: High resolution structure of an M23 peptidase with a substrate analogue. , Scientific Reports 5 (2015), p. 14833/1-8
doi: 10.1038/srep14833

Mejdrova, I.; Chalupska, D.; Kögler, M.; Sala, M.; Plackova, P.; Baumlova, A.; Hrebabecky, H.; Prochazkova, E.; Dejmek, M.; Guillon, R.; Strunin, D.; Weber, J.; Lee, G.; Birkus, G.; Mertlikova-Kaiserova, H.; Boura, E.; Nencka, R.: Highly Selective Phosphatidylinositol 4-Kinase IIIβ Inhibitors and Structural Insight into Their Mode of Action. , Journal of Medicinal Chemistry 58 (2015), p. 3767-3793
doi: 10.1021/acs.jmedchem.5b00499

Kudlinzki, D.; Linhard, V.L.; Saxena, K.; Sreeramulu, S.; Gande, S.; Schieborr, U.; Dreyer, M.; Schwalbe, H.: High-resolution crystal structure of cAMP-dependent protein kinase from Cricetulus griseus. , Acta Crystallographica Section F - Structural Biology Communications 71 (2015), p. 1088-1093
doi: 10.1107/S2053230X1501242X

Zimmermann, S.; Pfennig, S.; Neumann, P.; Yonus, H.; Weininger, U.; Kovermann, M.; Balbach, J.; Stubbs, M.T.: High-resolution structures of the D-alanyl carrier protein (Dcp) DltC from Bacillus subtilis reveal equivalent conformations of apo- and holo-forms. , FEBS Letters 589 (2015), p. 2283-2289
doi: 10.1016/j.febslet.2015.07.008

Giardina, G.; Brunotti, P.; Fiascarelli, A.; Cicalini, A.; Costa, M.G.S.; Buckle, A.M.; di Salvo, M.L.; Giorgi, A.; Marani, M.; Paone, A.; Rinaldo, S.; Paiardini, A.; Contestabile, R.; Cutruzzola, F.: How pyridoxal 5'-phosphate differentially regulates human cytosolic and mitochondrial serine hydroxymethyltransferase oligomeric state. , FEBS Journal 282 (2015), p. 1225-1241
doi: 10.1111/febs.13211

Dahms, S.O.; Mayer, M.C.; Roeser, D.; Multhaup, G.; Than, M.E.: Interaction of the amyloid precursor protein-like protein 1 (APLP1) E2 domain with heparan sulfate involves two distinct binding modes. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 494-504
doi: 10.1107/S1399004714027114

Kraushaar, T.; Bruckner, S.; Veelders, M.; Rhinow, D.; Schreiner, F.; Birke, R.; Pagenstecher, A.; Mösch, H.; Essen, L.: Interactions by the Fungal Flo11 Adhesin Depend on a Fibronectin Type III-Like Adhesin Domain Girdled by Aromatic Bands. , Structure 23 (2015), p. 1005-1017
doi: 10.1016/j.str.2015.03.021

Pachl, P.; Fabry, M.; Veverka, V.; Brynda, J.; Rezacova, P.: Kinetic and structural characterization of an alternatively spliced variant of human mitochondrial 5'(3')-deoxyribonucleotidase. , Journal of Enzyme Inhibition and Medicinal Chemistry 30 (2015), p. 63-68
doi: 10.3109/14756366.2013.879577

Rothweiler, U.; Eriksson, J.; Stensen, W.; Leeson, F.; Engh, R.A.; Svendsen, J.S.: Luciferin and derivatives as a DYRK selective scaffold for the design of protein kinase inhibitors. , European Journal of Medicinal Chemistry 94 (2015), p. 140–148
doi: 10.1016/j.ejmech.2015.02.035

Rose, J.P.; Wang, B.-C.; Weiss, M.S.: Native SAD is maturing. , IUCrJ 2 (2015), p. 431-440
doi: 10.1107/S2052252515008337

Hardes, K.; Becker, G.L.; Lu, Y.; Dahms, S.O.; Köhler, S.; Beyer, W.; Sandvig, K.; Yamamoto, H.; Lindberg, I.; Walz, L.; von Messling, V.; Than, M.E.; Garten, W.; Steinmetzer, T.: Novel Furin Inhibitors with Potent Anti-infectious Activity. , ChemMedChem 10 (2015), p. 1218-1231
doi: 10.1002/cmdc.201500103

Stransky, J.; Koval', T.; Podzimek, T.; Tycova, A.; Lipovova, P.; Matousek, J.; Kolenko, P.; Fejfarova, K.; Duskova, J.; Skalova, T.; Hasek, J.; Dohnalek, J.: Phosphate binding in the active centre of tomato multifunctional nuclease TBN1 and analysis of superhelix formation by the enzyme. , Acta Crystallographica Section F - Structural Biology Communications 71 (2015), p. 1408-1415
doi: 10.1107/S2053230X15018324

Oden, F.; Marino, S.; Brand, J.; Scheu, S.; Kriegel, C.; Olal, D.; Takvorian, A.; Westermann, J.; Yilmaz, B.; Hinz, M.; Daumke, O.; Höpken, U.; Müller, G.; Lipp, M.: Potent anti-tumor response by targeting B cell maturation antigen (BCMA) in a mouse model of multiple myeloma. , Molecular Oncology 9 (2015), p. 1348-1358
doi: 10.1016/j.molonc.2015.03.010

Kuhnert, M.; Blum, A.; Steuber, H.; Diederich, W.E.: Privileged Structures Meet Human T-Cell Leukemia Virus-1 (HTLV-1): C-2-Symmetric 3,4-Disubstituted Pyrrolidines as Nonpeptidic HTLV-1 Protease Inhibitors. , Journal of Medicinal Chemistry 58 (2015), p. 4845-4850
doi: 10.1021/acs.jmedchem.5b00346

Schnitzler, Alexander: Proteinkinase CK2 : ein Enzym mit mehreren Bindestellen. , Köln, Universität, Diss., 2015

Tishchenko, S.; Kostareva, O.; Gabdulkhakov, A.; Mikhaylina, A.; Nikonova, E.; Nevskaya, N.; Sarskikh, A.; Piendl, W.; Garber, M.; Nikonov, S.: Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 376-386
doi: 10.1107/S1399004714026248

Osadnik, H.; Schoepfel, M.; Heidrich, E.; Mehner, D.; Lilie, H.; Parthier, C.; Risselada, H.J.; Grubmueller, H.; Stubbs, M.T.; Brueser, T.: PspF-binding domain PspA(1-144) and the PspA center dot F complex: New insights into the coiled-coil-dependent regulation of AAA plus proteins. , Molecular Microbiology 98 (2015), p. 743-759
doi: 10.1111/mmi.13154

Barandun, L.J.; Ehrmann, F.R.; Zimmerli, D.; Immekus, F.; Giroud, M.; Gruenenfelder, C.; Schweizer, W.B.; Bernet, B.; Betz, M.; Heine, A.; Klebe, G.; Diederich, F.: Replacement of water molecules in a phosphate binding site by furanoside-appended lin-benzoguanine ligands of tRNA-guanine transglycosylase (TGT). , Chemistry - A European Journal 21 (2015), p. 126-135
doi: 10.1002/chem.201405764

Grosskopf, S.; Eckert, C.; Arkona, C.; Radetzki, S.; Boehm, K.; Heinemann, U.; Wolber, G.; von Kries, J.-P.; Birchmeier, W.; Rademann, J.: Selective Inhibitors of the Protein Tyrosine Phosphatase SHP2 Block Cellular Motility and Growth of Cancer Cells in vitro and in vivo. , ChemMedChem 10 (2015), p. 815-826
doi: 10.1002/cmdc.201500015

Glow, D.; Pianka, D.; Sulej, A.A.; Kozlowski, L.P.; Czarnecka, J.; Chojnowski, G.; Skowronek, K.J.; Bujnicki, J.M.: Sequence-specific cleavage of dsRNA by Mini-III RNase. , Nucleic Acids Research 43 (2015), p. 2864-2873
doi: 10.1093/nar/gkv009

Skalden, L.; Thomsen, M.; Hoehne, M.; Bornscheuer, U.T.; Hinrichs, W.: Structural and biochemical characterization of the dual substrate recognition of the (R)-selective amine transaminase from Aspergillus fumigatus. , FEBS Journal 282 (2015), p. 407-415
doi: 10.1111/febs.13149

Leiros, H.-K.S.; Edvardsen, K.S.W.; Bjerga, G.E.K.; Samuelsen, O.: Structural and biochemical characterization of VIM-26 show that Leu224 has implications for the substrate specificity of VIM metallo-β-lactamases. , FEBS Journal 282 (2015), p. 1031-1042
doi: 10.1111/febs.13200

Port, S.A.; Monecke, T.; Dickmanns, A.; Spillner, C.; Hofele, R.; Urlaub, H.; Ficner, R.; Kehlenbach, R.H.: Structural and Functional Characterization of CRM1-Nup214 Interactions Reveals Multiple FG-Binding Sites Involved in Nuclear Export. , Cell Reports 13 (2015), p. 690-702
doi: 10.1016/j.celrep.2015.09.042

Port, Sarah A: Structural and Functional Characterization of CRM1-Nup214 Interactions Reveals Multiple FG-binding Sites Involved in Nucleocytoplasmic Transport. , Uni Göttingen, 2015

Fillenberg, Simon B.: Structural and functional studies of the bacterial transcriptional regulators YvoA and DasR. , Erlangen, Nürnberg, Friedrich-Alexander-Universität Erlangen-Nürnberg, Diss., 2015

Kuhle, Bernhard: Structural and functional studies on GTPases involved in eukaryal translation initiation. , Uni Göttingen, 2015

Gaur, V.; Wyatt, H.D.M.; Komorowska, W.; Szczepanowski, R.H.; de Sanctis, D.; Gorecka, K.M.; West, S.C.; Nowotny, M.: Structural and Mechanistic Analysis of the Slx1-Slx4 Endonuclease. , Cell Reports 10 (2015), p. 1467-1476
doi: 10.1016/j.celrep.2015.02.019

Karlberg, T.; Klepsch, M.; Thorsell, A.G.; Andersson, C.D.; Linusson, A.; Schüler, H.: Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein. , Journal of Biological Chemistry 290 (2015), p. 7336-7344
doi: 10.1074/jbc.M114.630160

Griese, J.J.; Kositzki, R.; Schrapers, P.; Branca, R.M.M.; Nordstrom, A.; Lehtio, J.; Haumann, M.; Hogbom, M.: Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor. , Journal of Biological Chemistry 290 (2015), p. 25254-25272
doi: 10.1074/jbc.M115.675223

Tresaugues, L.; Lundbäck, T.; Welin, M.; Flodin, S.; Nyman, T.; Silvander, C.; Gräslund, S.; Nordlund, P.: Structural Basis for the Specificity of Human NUDT16 and Its Regulation by Inosine Monophosphate. , PLoS One 10 (2015), p. e0131507/1-20
doi: 10.1371/journal.pone.0131507

Rinaldo, S.; Paiardini, A.; Stelitano, V.; Brunotti, P.; Cervoni, L.; Fernicola, S.; Protano, C.; Vitali, M.; Cutruzzola, F.; Giardina, G.: Structural Basis of Functional Diversification of the HD-GYP Domain Revealed by the Pseudomonas aeruginosa PA4781 Protein, Which Displays an Unselective Bimetallic Binding Site. , Journal of Bacteriology 197 (2015), p. 1525-1535
doi: 10.1128/JB.02606-14

Kurteva-Yaneva, N.; Zahn, M.; Weichler, M.-T.; Starke, R.; Harms, H.; Müller, R.H.; Sträter, N.; Rohwerder, T.: Structural Basis of the Stereospecificity of Bacterial B₁₂-dependent 2-Hydroxyisobutyryl-CoA Mutase. , Journal of Biological Chemistry 290 (2015), p. 9727-9737
doi: 10.1074/jbc.M115.645689

Diderrich, R.; Kock, M.; Maestre-Reyna, M.; Keller, P.; Steuber, H.; Rupp, S.; Essen, L.-O.; Moesch, H.-U.: Structural Hotspots Determine Functional Diversity of the Candida Glabrata Epithelial Adhesin Family. , Journal of Biological Chemistry 290 (2015), p. 19597-19613
doi: 10.1074/jbc.M115.655654

Houser, J.; Komarek, J.; Cioci, G.; Varrot, A.; Imberty, A.; Wimmerova, M.: Structural insights into Aspergillus fumigatus lectin specificity: AFL binding sites are functionally non-equivalent. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 442-453
doi: 10.1107/S1399004714026595

Thomsen, M.; Tuukkanen, A.; Dickerhoff, J.; Palm, G.J.; Kratzat, H.; Svergun, D.I.; Weisz, K.; Bornscheuer, U.T.; Hinrichs, W.: Structure and catalytic mechanism of the evolutionarily unique bacterial chalcone isomerase. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 907-917
doi: 10.1107/S1399004715001935

Zak, K.M.; Kitel, R.; Przetocka, S.; Golik, P.; Guzik, K.; Musielak, B.; Domling, A.; Dubin, G.; Holak, T.A.: Structure of the Complex of Human Programmed Death 1, PD-1, and Its Ligand PD-L1. , Structure 23 (2015), p. 2341-2348
doi: 10.1016/j.str.2015.09.010

Vit, A.; Mashabela, G.T.; Blankenfeldt, W.; Seebeck, F.P.: Structure of the Ergothioneine-Biosynthesis Amidohydrolase EgtC. , ChemBioChem 16 (2015), p. 1490-1496
doi: 10.1002/cbic.201500168

Possner, D.D.D.; Claesson, M.; Guy, J.E.: Structure of the Glycosyltransferase Ktr4p from Saccharomyces cerevisiae. , PLoS One 10 (2015), p. e0136239/1-16
doi: 10.1371/journal.pone.0136239

Reinhard, L.; Sridhara, S.; Hällberg, B.M.: Structure of the nuclease subunit of human mitochondrial RNase P. , Nucleic Acids Research 43 (2015), p. 5664–5672
doi: 10.1093/nar/gkv481

Goncharenko, K.V.; Vit, A.; Blankenfeldt, W.; Seebeck, F.P.: Structure of the Sulfoxide Synthase EgtB from the Ergothioneine Biosynthetic Pathway. , Angewandte Chemie - International Edition 54 (2015), p. 2821-2824
doi: 10.1002/anie.201410045

Pachl, P.; Simak, O.; Rezacova, P.; Fabry, M.; Budesinsky, M.; Rosenberg, I.; Brynda, J.: Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor. , MedChemComm 6 (2015), p. 1635-1638
doi: 10.1039/c5md00235d

Schubert, A.; Wrase, R.; Hilgenfeld, R.; Hansen, G.: Structures of DegQ from Legionella pneumophila Define Distinct ON and OFF States. , Journal of Molecular Biology : jmb 427 (2015), p. 2840-2851
doi: 10.1016/j.jmb.2015.06.023

Giese, Till: Strukturbiologische Untersuchungen von Anticalin/Ligand-Komplexen. , München, Technische Universität München, Diss., 2015

Kling, A.; Lukat, P.; Almeida, D.V.; Bauer, A.; Fontaine, E.; Sordello, S.; Zaburannyi, N.; Herrmann, J.; Wenzel, S.C.; Koenig, C.; Ammerman, N.C.; Barrio, M.B.; Borchers, K.; Bordon-Pallier, F.; Broenstrup, M.; Courtemanche, G.; Gerlitz, M.; Geslin, M.; Hammann, P.; Heinz, D.W.; Hoffmann, H.; Klieber, S.; Kohlmann, M.; Kurz, M.; Lair, C.; Matter, H.; Nuermberger, E.; Tyagi, S.; Fraisse, L.; Grosset, J.H.; Lagrange, S.; Mueller, R.: Targeting DnaN for tuberculosis therapy using novel griselimycins. , Science 348 (2015), p. 1106-1112
doi: 10.1126/science.aaa4690

Lange, A.; Günther, M.; Büttner, F.M.; Zimmermann, M.O.; Heidrich, J.; Hennig, S.; Zahn, S.; Schall, C.; Sievers-Engler, A.; Koch, P.; Laemmerhofer, M.; Stehle, T.; Laufer, S.A.; Boeckler, F.M.: Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen Bond. , Journal of the American Chemical Society 137 (2015), p. 14640-14652
doi: 10.1021/jacs.5b07090

Lohöfener, J.; Steinke, N.; Kay-Fedorov, P.; Baruch, P.; Nikulin, A.; Tishchenko, S.; Manstein, D.J.; Fedorov, R.: The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. , Structure 23 (2015), p. 851-862
doi: 10.1016/j.str.2015.03.012

Hoefgen, S.; Dahms, S.O.; Oertwig, K.; Than, M.E.: The Amyloid Precursor Protein Shows a pH-Dependent Conformational Switch in Its E1 Domain. , Journal of Molecular Biology : jmb 427 (2015), p. 433-442
doi: 10.1016/j.jmb.2014.12.005

Scheerer, P.; Zhang, F.; Kalms, J.; von Stetten, D.; Krauss, N.; Oberpichler, I.; Lamparter, T.: The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways. , Journal of Biological Chemistry 290 (2015), p. 11504-11514
doi: 10.1074/jbc.M115.637868

Klima, M.; Baumlova, A.; Chalupska, D.; Hrebabecky, H.; Dejmek, M.; Nencka, R.; Boura, E.: The high-resolution crystal structure of phosphatidylinositol 4-kinase IIβ and the crystal structure of phosphatidylinositol 4-kinase IIα containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design. , Acta Crystallographica Section D - Biological Crystallography 71 (2015), p. 1555-1563
doi: 10.1107/S1399004715009505

Mueller, U.; Förster, R.; Hellmig, M.; Huschmann, F.U.; Kastner, A.; Malecki, P.; Pühringer, S.; Röwer, M.; Sparta, K.; Steffien, M.; Ühlein, M.; Wilk, P.; Weiss, M.S.: The macromolecular crystallography beamlines at BESSY II of the Helmholtz-Zentrum Berlin: Current status and perspectives. , The European Physical Journal Plus : EPJ Plus 130 (2015), p. 141/1-10
doi: 10.1140/epjp/i2015-15141-2

Hellert, J.; Weidner-Glunde, M.; Krausze, J.; Luensdorf, H.; Ritter, C.; Schulz, T.F.; Lührs, T.: The 3D structure of Kaposi sarcoma herpesvirus LANA C-terminal domain bound to DNA. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 112 (2015), p. 6694-6699
doi: 10.1073/pnas.1421804112

Kuhnert, M.; Koester, H.; Bartholomaeus, R.; Park, A.Y.; Shahim, A.; Heine, A.; Steuber, H.; Klebe, G.; Diederich, W.E.: Tracing Binding Modes in Hit-to-Lead Optimization: Chameleon-Like Poses of Aspartic Protease Inhibitors. , Angewandte Chemie - International Edition 54 (2015), p. 2849-2853
doi: 10.1002/anie.201411206

Caraballo, R.; Saleeb, M.; Bauer, J.; Liaci, A.M.; Chandra, N.; Storm, R.J.; Frangsmyr, L.; Qian, W.; Stehle, T.; Arnberg, N.; Elofsson, M.: Triazole linker-based trivalent sialic acid inhibitors of adenovirus type 37 infection of human corneal epithelial cells. , Organic & Biomolecular Chemistry 13 (2015), p. 9194-9205
doi: 10.1039/c5ob01025j

Behrmann, Heide: Untersuchungen zur Struktur und Funktion der class C Vps Tethering-Komplexe HOPS und CORVET. , Berlin, Freie Universität Berlin, Diss., 2015

2014

Streib, M.; Kraeling, K.; Richter, K.; Xie, X.; Steuber, H.; Meggers, E.: An Organometallic Inhibitor for the Human Repair Enzyme 7,8-Dihydro-8-oxoguanosine Triphosphatase. , Angewandte Chemie - International Edition 53 (2014), p. 305-309
doi: 10.1002/anie.201307849

Schäfer, Christin Marliese: Approaching antimicrobial resistance : Structural and functional characterization of the fungal transcription factor Mrr1 from Candida albicans and the bacterial β-ketoacyl-CoA thiolase FadA5 from Mycobacterium tuberculosis. , Würzburg, Universität Würzburg, Diss., 2014

Kopera, E.; Bal, W.; Lenarcic Zivkovic, M.; Dvornyk, A.; Kludkiewicz, B.; Grzelak, K.; Zhukov, I.; Zagorski-Ostoja, W.; Jaskolski, M.; Krzywda, S.: Atomic Resolution Structure of a Protein Prepared by Non-Enzymatic His-Tag Removal. Crystallographic and NMR Study of GmSPI-2 Inhibitor. , PLoS One 9 (2014), p. e106936/1-11
doi: 10.1371/journal.pone.0106936

Stsiapanava, A.; Olsson, U.; Wan, M.; Kleinschmidt, T.; Rutishauser, D.; Zubarev, R.A.; Samuelsson, B.; Rinaldo-Matthis, A.; Haeggström, J.Z.: Binding of Pro-Gly-Pro at the active site of leukotriene A(4) hydrolase/aminopeptidase and development of an epoxide hydrolase selective inhibitor. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 111 (2014), p. 4227-4232
doi: 10.1073/pnas.1402136111

Götzl, Sebastian: Biochemische und strukturelle Untersuchungen an Proteinen des reduktiven Acetyl-CoA-Weges. , Berlin, Humboldt Universität, Diss., 2014

Roessler, C.; Nowak, T.; Pannek, M.; Gertz, M.; Nguyen, G.T.T.; Scharfe, M.; Born, I.; Sippl, W.; Steegborn, C.; Schutkowski, M.: Chemical Probing of the Human Sirtuin 5 Active Site Reveals Its Substrate Acyl Specificity and Peptide-Based Inhibitors. , Angewandte Chemie - International Edition 53 (2014), p. 10728-10732
doi: 10.1002/anie.201402679

Kestler, C.; Knobloch, G.; Tessmer, I.; Jeanclos, E.; Schindelin, H.; Gohla, A.: Chronophin Dimerization is Required for Proper Positioning of its Substrate Specificity Loop. , Journal of Biological Chemistry 289 (2014), p. 3094-3103
doi: 10.1074/jbc.M113.536482

Nikonov, O.; Stolboushkina, E.; Arkhipova, V.; Kravchenko, O.; Nikonov, S.; Garber, M.: Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 658-667
doi: 10.1107/S1399004713032240

Simak, O.; Pachl, P.; Fabry, M.; Budesinsky, M.; Jandusik, T.; Hnizda, A.; Sklenickova, R.; Petrova, M.; Veverka, V.; Rezacova, P.; Brynda, J.; Rosenberg, I.: Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases. , Organic & Biomolecular Chemistry 12 (2014), p. 7971-7982
doi: 10.1039/c4ob01332h

Neumann, P.; Lakomek, K.; Naumann, P.-T.; Erwin, W.M.; Lauhon, C.T.; Ficner, R.: Crystal structure of a 4-thiouridine synthetase-RNA complex reveals specificity of tRNA U8 modification. , Nucleic Acids Research 42 (2014), p. 6673-6685
doi: 10.1093/nar/gku249

Pietrzyk, A.J.; Bujacz, A.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: Crystal Structure of Bombyx mori Lipoprotein 6: Comparative Structural Analysis of the 30-kDa Lipoprotein Family. , PLoS One 9 (2014), p. e108761/1-10
doi: 10.1371/journal.pone.0108761

Dowiercial, A.; Wilk, P.; Rypniewski, W.; Rode, W.; Jarmula, A.: Crystal Structure of Mouse Thymidylate Synthase in Tertiary Complex with dUMP and Raltitrexed Reveals N-Terminus Architecture and Two Different Active Site Conformations. , Biomed Research International 2014 (2014), p. 945803/1-7
doi: 10.1155/2014/945803

Zebisch, M.; Baqi, Y.; Schäfer, P.; Müller, C.E.; Sträter, N.: Crystal structure of NTPDase2 in complex with the sulfoanthraquinone inhibitor PSB-071. , Journal of Structural Biology 185 (2014), p. 336-341
doi: 10.1016/j.jsb.2014.01.005

Figiel, M.; Nowotny, M.: Crystal structure of RNase H3-substrate complex reveals parallel evolution of RNA/DNA hybrid recognition. , Nucleic Acids Research 42 (2014), p. 9285-9294
doi: 10.1093/nar/gku615

Sabala, I.; Jagielska, E.; Bardelang, P.T.; Czapinska, H.; Dahms, S.O.; Sharpe, J.A.; James, R.; Than, M.E.; Thomas, N.R.; Bochtler, M.: Crystal structure of the antimicrobial peptidase lysostaphin from Staphylococcus simulans. , FEBS Journal 281 (2014), p. 4112-4122
doi: 10.1111/febs.12929

Mietus, M.; Nowak, E.; Jaciuk, M.; Kustosz, P.; Studnicka, J.; Nowotny, M.: Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding. , Nucleic Acids Research 42 (2014), p. 10762-10775
doi: 10.1093/nar/gku729

Barak, R.; Lahmi, R.; Gevorkyan-Airapetov, L.; Levy, E.; Tzur, A.; Opatowsky, Y.: Crystal structure of the extracellular juxtamembrane region of Robo1. , Journal of Structural Biology 186 (2014), p. 283-291
doi: 10.1016/j.jsb.2014.02.019

Wang, C.; Gohlke, U.; Roske, Y.; Heinemann, U.: Crystal structure of the yeast TRAPP-associated protein Tca17. , FEBS Journal 281 (2014), p. 4195-4206
doi: 10.1111/febs.12888

Niegowski, D.; Kleinschmidt, T.; Olsson, U.; Ahmad, S.; Rinaldo-Matthis, A.; Haeggstrom, J.Z.: Crystal Structures of Leukotriene C-4 Synthase in Complex with Product Analogs. , Journal of Biological Chemistry 289 (2014), p. 5199-5207
doi: 10.1074/jbc.M113.534628

Kloos, M.; Brüser, A.; Kirchberger, J.; Schöneberg, T.; Sträter, N.: Crystallization and preliminary crystallographic analysis of human muscle phosphofructokinase, the main regulator of glycolysis. , Acta Crystallographica Section F - Structural Biology Communications 70 (2014), p. 578-582
doi: 10.1107/S2053230X14008723

Suhre, M.H.; Scheibel, T.; Steegborn, C.; Gertz, M.: Crystallization and preliminary X-ray diffraction analysis of proximal thread matrix protein 1 (PTMP1) from Mytilus galloprovincialis. , Acta Crystallographica Section F - Structural Biology Communications 70 (2014), p. 769-772
doi: 10.1107/S2053230X14006165

Arkhipova, V.I.; Stolboushkina, E.A.; Nikonov, O.S.; Gabdulkhakov, A.G.; Garber, M.B.: Crystallization of mutant forms of the γ subunit of archaeal translation initiation factor 2. , Crystallography Reports 59 (2014), p. 71-74
doi: 10.1134/S1063774514010027

Thomsen, M.; Skalden, L.; Palm, G.J.; Höhne, M.; Bornscheuer, U.T.; Hinrichs, W.: Crystallographic characterization of the (R)-selective amine transaminase from Aspergillus fumigatus. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1086-1093
doi: 10.1107/S1399004714001084

Sykora, J.; Brezovsky, J.; Koudelakova, T.; Lahoda, M.; Fortova, A.; Chernovets, T.; Chaloupkova, R.; Stepankova, V.; Prokop, Z.; Kuta Smatanova, I.; Hof, M.; Damborsky, J.: Dynamics and hydration explain failed functional transformation in dehalogenase design. , Nature Chemical Biology 10 (2014), p. 428-430
doi: 10.1038/nchembio.1502

Murina, V.N.; Melnik, B.S.; Filimonov, V.V.; Ühlein, M.; Weiss, M.S.; Müller, U.; Nikulin, A.D.: Effect of conserved intersubunit amino acid substitutions on Hfq protein structure and stability. , Biochemistry (Moscow) = Biokhimiya 79 (2014), p. 469-477
doi: 10.1134/S0006297914050113

Avella, G.; Ardiccioni, C.; Scaglione, A.; Moschetti, T.; Rondinelli, C.; Montemiglio, L.C.; Savino, C.; Giuffre, A.; Brunori, M.; Vallone, B.: Engineering the internal cavity of neuroglobin demonstrates the role of the haem-sliding mechanism. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1640-1648
doi: 10.1107/S1399004714007032

Williamson, A.; Rothweiler, U.; Schroder Leiros, H.-K.: Enzyme-adenylate structure of a bacterial ATP-dependent DNA ligase with a minimized DNA-binding surface. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 3043-3056
doi: 10.1107/S1399004714021099

Kleinboelting, S.; van den Heuvel, J.; Kambach, C.; Weyand, M.; Leipelt, M.; Steegborn, C.: Expression, purification, crystallization and preliminary X-ray diffraction analysis of a mammalian type 10 adenylyl cyclase. , Acta Crystallographica Section F - Structural Biology Communications 70 (2014), p. 467-469
doi: 10.1107/S2053230X14004014

Topolinski, Berit A.: Ferrocenylated Buckybowls. , Berlin, Freie Universität Berlin, Diss., 2014

Lehneck, Ronny: Functional and structural analysis of carbonic anhydrases from the filamentous ascomycete Sordaria macrospora. , Uni Göttingen, 2014

Oden, Felix: Generation of an antibody targeting B cell maturation antigen for the treatment of multiple myeloma and autoimmune diseases. , Berlin, Freie Universität Berlin, Diss., 2014

Leiros, H.-K.S.; Skagseth, S.; Waade Edvardsen, K.S.; Lorentzen, M.S.; Bjerga, G.E.K.; Leiros, I.; Samuelsen, O.: His224 Alters the R2 Drug Binding Site and Phe218 Influences the Catalytic Efficiency of the Metallo-beta-Lactamase VIM-7. , Antimicrobial Agents and Chemotherapy 58 (2014), p. 4826-4836
doi: 10.1128/AAC.02735-13

Galilee, M.; Alian, A.: Identification of Phe187 as a Crucial Dimerization Determinant Facilitates Crystallization of a Monomeric Retroviral Integrase Core Domain. , Structure 22 (2014), p. 1512-1519
doi: 10.1016/j.str.2014.08.001

Stoeck, Ulrich: Neue, poröse metallorganische Gerüstverbindungen und organometallische Koordinationspolymere : Darstellung, Charakterisierung und Evaluierung ihres Potentials für die Gasspeicherung und Katalyse. , Dresden, Technische Universität Dresden, Diss., 2014

Renko, M.; Taler-Vercic, A.; Mihelic, M.; Zerovnik, E.; Turk, D.: Partial rotational lattice order-disorder in stefin B crystals. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1015-1025
doi: 10.1107/S1399004714000091

Sakai, F.; Yang, G.; Weiss, M.S.; Liu, Y.; Chen, G.; Jiang, M.: Protein crystalline frameworks with controllable interpenetration directed by dual supramolecular interactions. , Nature Communications 5 (2014), p. 4634/1-8
doi: 10.1038/ncomms5634

Schäfer, Caspar: Proteinbiochemische, spektroskopische und röntgenkristallographische Untersuchung der Actinobakteriellen [NiFe]-Hydrogenase aus Ralstonia eutropha. , Berlin, Humboldt Universität, Diss., 2014

Schiebel, J.; Chang, A.; Shah, S.; Lu, Y.; Liu, L.; Pan, P.; Hirschbeck, M.W.; Tareilus, M.; Eltschkner, S.; Yu, W.; Cummings, J.E.; Knudson, S.E.; Bommineni, G.R.; Walker, S.G.; Slayden, R.A.; Sotriffer, C.A.; Tonge, P.J.; Kisker, C.: Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor. , Journal of Biological Chemistry 289 (2014), p. 15987-16005
doi: 10.1074/jbc.M113.532804

Tykvart, J.; Schimer, J.; Barinkova, J.; Pachl, P.; Postova-Slavetinska, L.; Majer, P.; Konvalinka, J.; Sacha, P.: Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery. , Bioorganic & Medicinal Chemistry 22 (2014), p. 4099-4108
doi: 10.1016/j.bmc.2014.05.061

Patrizi, B.; Lapini, A.; Di Donato, M.; Marcelli, A.; Lima, M.; Righini, R.; Foggi, P.; Baiocco, P.; Bonamore, A.; Boffi, A.: Role of Local Structure and Dynamics of Small Ligand Migration in Proteins: A Study of a Mutated Truncated Hemoprotein from Thermobifida Fusca by Time Resolved Mir Spectroscopy. , The Journal of Physical Chemistry B 118 (2014), p. 9209–9217
doi: 10.1021/jp504499b

Kleinboelting, S.; van den Heuvel, J.; Steegborn, C.: Structural analysis of human soluble adenylyl cyclase and crystal structures of its nucleotide complexes - implications for cyclase catalysis and evolution. , FEBS Journal 281 (2014), p. 4151-4164
doi: 10.1111/febs.12913

Smietanski, M.; Werner, M.; Purta, E.; Kaminska, K H; Stepinski, J.; Darzynkiewicz, E.; Nowotny, M.; Bujnicki, J.M.: Structural analysis of human 2'-O-ribose methyltransferases involved in mRNA cap structure formation. , Nature Communications 5 (2014), p. 3004/1-10
doi: 10.1038/ncomms4004

Klingl, Stefan: Structural analysis of the globular core domain of the immediate-early 1 protein of cytomegalovirus. , Erlangen, Nürnberg, Friedrich-Alexander-Universität Erlangen-Nürnberg, Diss., 2014

Sander, Bodo: Structural and biochemical characterization of gephyrin and various gephyrin-ligand complexes. , Würzburg, Universität Würzburg, Diss., 2014

Möhlmann, S.; Mathew, R.; Neumann, P.; Schmitt, A.; Lührmann, R.; Ficner, R.: Structural and functional analysis of the human spliceosomal DEAD-box helicase Prp28. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1622-1630
doi: 10.1107/S1399004714006439

Liu, Yi: Structural and functional studies of eukaryotic translation initiation factors. , Uni Göttingen, 2014

Roth, C.; Wei, R.; Oeser, T.; Then, J.; Foellner, C.; Zimmermann, W.; Straeter, N.: Structural and functional studies on a thermostable polyethylene terephthalate degrading hydrolase from Thermobifida fusca. , Applied Microbiology and Biotechnology 98 (2014), p. 7815-7823
doi: 10.1007/s00253-014-5672-0

Klyashtorny, V.G.; Fufina, T.Yu.; Vasilieva, L.G.; Shuvalov, V.A.; Gabdulkhakov, A.G.: Structural and preliminary molecular dynamics studies of the Rhodobacter sphaeroides reaction center and its mutant form L(M196)H + H(M202)L. , Crystallography Reports 59 (2014), p. 536-541
doi: 10.1134/S1063774514040099

Snasel, J.; Naus, P.; Dostal, J.; Hnizda, A.; Fanfrlik, J.; Brynda, J.; Bourderioux, A.; Dusek, M.; Dvorakova, H.; Stolarikova, J.; Zabranska, H.; Pohl, R.; Konecny, P.; Dzubak, P.; Votruba, I.; Hajduch, M.; Rezacova, P.; Veverka, V.; Hocek, M.; Pichova, I.: Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides. , Journal of Medicinal Chemistry 57 (2014), p. 8268-8279
doi: 10.1021/jm500497v

Tresaugues, L.; Silvander, C.; Flodin, S.; Welin, M.; Nyman, T.; Graslund, S.; Hammarstrom, M.; Berglund, H.; Nordlund, P.: Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases. , Structure 22 (2014), p. 744-755
doi: 10.1016/j.str.2014.01.013

Diestel, Uschi: Structural Basis for TGF-β-Receptor Interaction and Antibody Recognition of HCMV Envelope Protein gB. , Erlangen, Nürnberg, Friedrich-Alexander-Universität Erlangen-Nürnberg, Diss., 2014

Havarushka, N.; Fischer-Schrader, K.; Lamkemeyer, T.; Schwarz, G.: Structural Basis of Thermal Stability of the Tungsten Cofactor Synthesis Protein MoaB from Pyrococcus furiosus. , PLoS One 9 (2014), p. e86030/1-12
doi: 10.1371/journal.pone.0086030

Schell, Stephanie: Structural characterization of the minimal human RISC-loading complex. , Uni Göttingen, 2014

Vahokoski, J.; Bhargav, S.P.; Desfosses, A.; Andreadaki, M.; Kumpula, E.; Martinez, S.M.; Ignatev, A.; Lepper, S.; Frischknecht, F.; Siden-Kiamos, I.; Sachse, C.; Kursula, I.: Structural Differences Explain Diverse Functions of Plasmodium Actins. , PLoS Pathogens 10 (2014), p. 4091
doi: 10.1371/journal.ppat.1004091

Behrmann, H.; Lürick, A.; Kuhlee, A.; Kleine Balderhaar, H.; Bröcker, C.; Kümmel, D.; Engelbrecht-Vandré, S.; Gohlke, U.; Raunser, S.; Heinemann, U.; Ungermann, C.: Structural identification of the Vps18 β-propeller reveals a critical role in the HOPS complex stability and function. , Journal of Biological Chemistry 289 (2014), p. 33503-33512
doi: 10.1074/jbc.M114.602714

Shah, C.; Hegde, B.G.; Moren, B.; Behrmann, E.; Mielke, T.; Moenke, G.; Spahn, C.M.T.; Lundmark, R.; Daumke, O.; Langen, R.: Structural Insights into Membrane Interaction and Caveolar Targeting of Dynamin-like EHD2. , Structure 22 (2014), p. 409-420
doi: 10.1016/j.str.2013.12.015

Borko, L.; Bauerova-Hlinkova, V.; Hostinova, E.; Gasperik, J.; Beck, K.; Lai, F.A.; Zahradnikova, A.; Sevcik, J.: Structural insights into the human RyR2 N-terminal region involved in cardiac arrhythmias. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 2897-2912
doi: 10.1107/S1399004714020343

Khoshnevis, S.; Gunisova, S.; Vlckova, V.; Kouba, T.; Neumann, P.; Beznoskova, P.; Ficner, R.; Valasek, L.S.: Structural integrity of the PCI domain of eIF3a/TIF32 is required for mRNA recruitment to the 43S pre-initiation complexes. , Nucleic Acids Research 42 (2014), p. 4123-4139
doi: 10.1093/nar/gkt1369

Xu, D.; Waack, P.; Zhang, Q.; Werten, S.; Hinrichs, W.; Virolle, M.-J.: Structure and regulatory targets of SCO3201, a highly promiscuous TetR-like regulator of Streptomyces coelicolor M145. , Biochemical and Biophysical Research Communications 450 (2014), p. 513-518
doi: 10.1016/j.bbrc.2014.06.003

Pachl, P.; Fabry, M.; Rosenberg, I.; Simak, O.; Rezacova, P.; Brynda, J.: Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 461-470
doi: 10.1107/S1399004713030502

Zebisch, M.; Krauss, M.; Schäfer, P.; Sträter, N.: Structures of Legionella pneumophila NTPDase1 in complex with polyoxometallates. , Acta Crystallographica Section D - Biological Crystallography 70 (2014), p. 1147-1154
doi: 10.1107/S1399004714001916

Bujacz, A.; Zielinski, K.; Sekula, B.: Strucural studies of bovine, equine, and leporine serum albumin complexes with naproxen. , Proteins - Structure, Function and Bioinformatics 82 (2014), p. 2199-2208
doi: 10.1002/prot.24583

Kleinbölting, Silke: Strukturelle und biochemische Charakterisierung der humanen löslichen Adenylyl-Cyclase. , Bayreuth, Universität, Diss., 2014

Oppermann, Sina: Targeting Bid for mitoprotection - Bid crystallization, new mechanisms and inhibitory compounds. , Uni Marburg, 2014

Baumlova, A.; Chalupska, D.; Rozycki, B.; Jovic, M.; Wisniewski, E.; Klima, M.; Dubankova, A.; Kloer, D.P.; Nencka, R.; Balla, T.; Boura, E.: The crystal structure of the phosphatidylinositol 4-kinase II alpha. , EMBO Reports 15 (2014), p. 1085-1092
doi: 10.15252/embr.201438841

Schnitzler, A.; Brinkmann Olsen, B.; Issinger, O.-G.; Niefind, K.: The Protein Kinase CK2^Andante Holoenzyme Structure Supports Proposec Models of Autoregulation and Trans-autophsophosylation. , Journal of Molecular Biology : jmb 426 (2014), p. 1871-1882
doi: 10.1016/j.jmb.2014.02.018

Neznansky, A.; Blus-Kadosh, I.; Yerushalmi, G.; Banin, E.; Opatowsky, Y.: The Pseudomonas aeruginosa phosphate transport protein PstS plays a phosphate-independent role in biofilm formation. , The FASEB Journal 28 (2014), p. 1-11
doi: 10.1096/fj.14-258293

Ilari, A.; Alaleona, F.; Tria, G.; Petrarca, P.; Battistoni, A.; Zamparelli, C.; Verzili, D.; Falconi, M.; Chiancone, E.: The Salmonella enterica ZinT structure, zinc affinity and interaction with the high-affinity Uptake protein ZnuA provide insight into the management of periplasmic zinc. , Biochimica et Biophysica Acta - General Subjects 1840 (2014), p. 535-544
doi: 10.1016/j.bbagen.2013.10.010

Nowak, E.; Miller, J.T.; Bona, M.K.; Studnicka, J.; Szczepanowski, R.H.; Jurkowski, J.; LeGrice, S.F.J.; Nowotny, M.: Ty3 reverse transcriptase complexed with an RNA-DNA hybrid shows structural and functional asymmetry. , Nature Structural & Molecular Biology 21 (2014), p. 389-396
doi: 10.1038/nsmb.2785

Biela, Inna: Untersuchung der Substratspezifität der tRNA-Guanin-Transglykosylase (TGT) aus Eukaryoten und Prokaryoten und Charakterisierung der eukaryotischen TGT. , Marburg, Philipps-Universität, Diss., 2014

Hegemann, J.D.; Zimmermann, M.; Zhu, S.; Steuber, H.; Harms, K.; Xie, X.; Marahiel, M.A.: Xanthomonins I-III: A New Class of Lasso Peptides with a Seven-Residue Macrolactam Ring. , Angewandte Chemie - International Edition 53 (2014), p. 2230-2234
doi: 10.1002/anie.201309267

Demo, G.; Papouskova, V.; Komarek, J.; Kaderavek, P.; Otrusinova, O.; Srb, P.; Rabatinova, A.; Krasny, L.; Zidek, L.; Sklenar, V.; Wimmerova, M.: X-ray vs. NMR structure of N-terminal domain of δ-subunit of RNA polymerase. , Journal of Structural Biology 187 (2014), p. 174-186
doi: 10.1016/j.jsb.2014.06.001

2013

Reiter, A.; Skerra, A.; Trauner, D.; Schiefner, A.: A Photoswitchable Neurotransmitter Analogue Bound to Its Receptor. , Biochemistry 52 (2013), p. 8972-8974
doi: 10.1021/bi4014402

Andres, D.; Gohlke, U.; Broeker, N.K.; Schulze, S.; Rabsch, W.; Heinemann, U.; Barbirz, S.; Seckler, R.: An essential serotype recognition pocket on phage P22 tailspike protein forces Salmonella enterica serovar Paratyphi A O-antigen fragments to bind as nonsolution conformers. , Glycobiology 23 (2013), p. 486-494
doi: 10.1093/glycob/cws224

Wagner, Stephan: Analysing Novel Structures of Protein Complexes Requiring the Central Plant Immune Regulator EDS1. , Köln, Universität, Diss., 2013

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Christian, Henning: Insights into the activation of the spliceosomal helicase Prp43. , Uni Göttingen, 2013

Biela, I.; Tidten-Luksch, N.; Immekus, F.; Glinca, S.; Nguyen, T.X.P.; Gerber, H.-D.; Heine, A.; Klebe, G.; Reuter, K.: Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. , PLoS One 8 (2013), p. e64240/1-19
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Ardini, M.; Fiorillo, A.; Fittipaldi, M.; Stefanini, S.; Gatteschi, D.; Ilari, A.; Chiancone, E.: Kineococcus radiotolerans Dps forms a heteronuclear Mn-Fe ferroxidase center that may explain the Mn-dependent protection against oxidative stress. , Biochimica et Biophysica Acta - General Subjects 1830 (2013), p. 3745-3755
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Faelber, K.; Gao, S.; Held, M.; Posor, Y.; Haucke, V.; Noe, F.; Daumke, O.: Oligomerization of dynamin superfamily proteins in health and disease. , In: Oligomerization in Health and Disease, 2013 (Progress in Molecular Biology and Translational Science ; 117). - ISBN 978-0-12-386931-9, p. 411-443
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Kmiec, B.; Teixeira, P.F.; Berntsson, R.P-A.; Murcha, M.W.; Branca, R.M.M.; Radomiljac, J.D.; Regberg, J.; Svensson, L.M.; Bakali, A.; Langel, U.; Lehtio, J.; Whelan, J.; Stenmark, P.; Glaser, E.: Organellar oligopeptidase (OOP) provides a complementary pathway for targeting peptide degradation in mitochondria and chloroplasts. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 110 (2013), p. E3761-E3769
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Stepankova, A.; Duskova, J.; Skalova, T.; Hasek, J.; Koval', T.; Ostergaard, L.H.; Dohnalek, J.: Organophosphorus acid anhydrolase from Alteromonas macleodii: structural study and functional relationship to prolidases. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 69 (2013), p. 346 - 354
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Lindgren, A.E.; Karlberg, T.; Thorsell, A.G.; Hesse, M.; Spjut, S.; Ekblad, T.; Andersson, C.D.; Pinto, A.F.; Weigelt, J.; Hottiger, M.O.; Linusson, A.; Elofsson, M.; Schüler, H.: PARP Inhibitor with Selectivity Toward ADP-Ribosyltransferase ARTD3/PARP3. , ACS Chemical Biology 8 (2013), p. 1698-1703
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Koval', T.; Lipovova, P.; Podzimek, T.; Matousek, J.; Duskova, J.; Skalova, T.; Stepankova, A.; Hasek, J.; Dohnalek, J.: Plant multifunctional nuclease TBN1 with unexpected phospholipase activity: structural study and reaction-mechanism analysis. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 213 - 226
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Chang, A.; Schiebel, J.; Yu, W.; Bommineni, G.R.; Pan, P.; Baxter, M.V.; Khanna, A.; Sotriffer, C.A.; Kisker, C.; Tonge, P.J.: Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus Fabl Enzyme-Product Complex. , Biochemistry 52 (2013), p. 4217-4228
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Forst, A.H.; Karlberg, T.; Herzog, N.; Thorsell, A.-G.; Gross, A.; Feijs, K.L. H.; Verheugd, P.; Kursula, P.; Nijmeijer, B.; Kremmer, E.; Kleine, H.; Ladurner, A.G.; Schuler, H.; Luescher, B.: Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. , Structure 21 (2013), p. 462-475
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Chon, H.; Sparks, J.L.; Rychlik, M.; Nowotny, M.; Burgers, P.M.; Crouch, R.J.; Cerritelli, S.M.: RNase H2 roles in genome integrity revealed by unlinking its activities. , Nucleic Acids Research 41 (2013), p. 3130 - 3143
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Broeker, N.K.; Gohlke, U.; Müller, J.J.; Uetrecht, C.; Heinemann, U.; Seckler, R.; Barbirz, S.: Single amino acid exchange in bacteriophage HK620 tailspike protein results in thousand-fold increase of its oligosaccharide affinity. , Glycobiology 23 (2013), p. 59-68
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Grießl, Martin H.: Structural analyses of NtCPIP1 and SiiE: atomic insights into host-pathogen interactions. , Erlangen, Nürnberg, Friedrich-Alexander-Universität Erlangen-Nürnberg, Diss., 2013

Nowak, E.; Potrzebowski, W.; Konarev, P.V.; Rausch, J.W.; Bona, M.K.; Svergun, D.I.; Bujnicki, J.M.; Le Grice, S.F.; Nowotny, M.: Structural analysis of monomeric retroviral reverse transcriptase in complex with an RNA/DNA hybrid. , Nucleic Acids Research 41 (2013), p. 3874-3887
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Mayr, Florian: Structural and Functional Analysis of Lin28-Mediated Inhibition of let-7 miRNA Biogenesis. , Berlin, Freie Universität Berlin, Diss., 2013

Mishra, Shambhavi: Structural and Functional Characterization of the Enzymes Involved in the Menaquinone Biosynthesis and Benzoate Degradation. , Würzburg, Universität Würzburg, Diss., 2013

Shah, Claudio Simon: Structural and mechanistic analysis of membrane remodeling by Eps15-homology domain-containing protein 2. , Berlin, Freie Universität Berlin, Diss., 2013

Leiros, H.S.; Flydal, M.I.; Martinez, A.: Structural and Thermodynamic Insight Into Phenylalanine Hydroxylase from the Human Pathogen Legionella Pneumophila. , FEBS Open Bio 3 (2013), p. 370-378
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Voronkov, A.; Holsworth, D.D.; Waaler, J.; Wilson, S.R.; Ekblad, B.; Perdreau-Dahl, H.; Dinh, H.; Drewes, G.; Hopf, C.; Morth, J.P.; Krauss, S.: Structural Basis and SAR for G007-LK, a Lead Stage 1,2,4-Triazole Based Specific Tankyrase 1/2 Inhibitor. , Journal of Medicinal Chemistry 56 (2013), p. 3012-3023
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Wagner, S.; Stuttmann, J.; Rietz, S.; Guerois, R.; Brunstein, E.; Bautor, J.; Niefind, K.; Parker, J.E.: Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity. , Cell Host & Microbe 14 (2013), p. 619-630
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Schiefner, A.; Sinz, Q.; Neumaier, I.; Schwab, W.; Skerra, A.: Structural Basis for the Enzymatic Formation of the Key Strawberry Flavor Compound 4-Hydroxy-2,5-dimethyl-3(2H)-furanone. , Journal of Biological Chemistry 288 (2013), p. 16815-16826
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Schiebel, J.; Kapilashrami, K.; Fekete, A.; Bommineni, G.R.; Schaefer, C.M.; Mueller, M.J.; Tonge, P.J.; Kisker, C.: Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis. , Journal of Biological Chemistry 288 (2013), p. 34190-34204
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Rosnes, I.; Rowe, A.D.; Vik, E.S.; Forstrom, R.J.; Alseth, I.; Bjoras, M.; Dalhus, B.: Structural Basis of DNA Loop Recognition by Endonuclease V. , Structure 21 (2013), p. 257-265
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Glotzbach, B.; Schmelz, S.; Reinwarth, M.; Christmann, A.; Heinz, D.W.; Kolmar, H.: Structural Characterization of Spinacia Oleracea Trypsin Inhibitor III (Soti-III). , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 114-120
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Griessl, M.H.; Schmid, B.; Kassler, K.; Braunsmann, C.; Ritter, R.; Barlag, B.; Stierhof, Y.-D.; Sturm, K.U.; Danzer, C.; Wagner, C.; Schaeffer, T.E.; Sticht, H.; Hensel, M.; Muller, Y.A.: Structural Insight into the Giant Ca²⁺-Binding Adhesin SiiE: Implications for the Adhesion of Salmonella enterica to Polarized Epithelial Cells. , Structure 21 (2013), p. 741-752
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Fröhlich, Chris: Structural insights into oligomerization and mitochondrial remodeling of dynamin 1-like protein. , Berlin, Freie Universität Berlin, Diss., 2013

Froehlich, C.; Grabiger, S.; Schwefel, D.; Faelber, K.; Rosenbaum, E.; Mears, J.; Rocks, O.; Daumke, O.: Structural insights into oligomerization and mitochondrial remodelling of dynamin 1-like protein. , The EMBO Journal 32 (2013), p. 1280-1292
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Schwefel, D.; Arasu, B.S.; Marino, S.F.; Lamprecht, B; Koechert, K.; Rosenbaum, E.; Eichhorst, J.; Wiesner, B.; Behlke, J.; Rocks, O.; Mathas, S.; Daumke, O.: Structural insights into the mechanism of GTPase activation in the GIMAP family. , Structure 21 (2013), p. 550-559
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Zahn, M.; Berthold, N.; Kieslich, B.; Knappe, D.; Hoffmann, R.; Strater, N.: Structural Studies on the Forward and Reverse Binding Modes of Peptides to the Chaperone DnaK. , Journal of Molecular Biology : jmb 425 (2013), p. 2463 - 2479
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Berntsson, R.P.-A.; Peng, L.; Dong, M.; Stenmark, P.: Structure of dual receptor binding to botulinum neurotoxin B. , Nature Communications 4 (2013), p. 2058/1-7
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Anders, K.; Daminelli-Widany, G.; Mroginski, M.A.; Von Stetten, D.; Essen, L.-O.: Structure of the Cyanobacterial Phytochrome 2 Photosensor Implies a Tryptophan Switch for Phytochrome Signaling. , Journal of Biological Chemistry 288 (2013), p. 35714
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Schiebel, Johannes: Structure-Based Drug Design on Enzymes of the Fatty Acid Biosynthesis Pathway. , Würzburg, Universität Würzburg, Diss., 2013

Lüdtke, S.; Neumann, P.; Erixon, K.M.; Leeper, F.; Kluger, R.; Ficner, R.; Tittmann, K.: Sub-angström-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. , Nature Chemistry 5 (2013), p. 762 - 767
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Angelucci, F.; Saccoccia, F.; Ardini, M.; Boumis, G.; Brunori, M.; Dileandro, L.; Ippoliti, R.; Miele, A.E.; Natoli, G.; Scotti, S.; Bellelli, A.: Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis. , Journal of Molecular Biology : jmb 425 (2013), p. 4556-4568
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Ussing, C.A.; Hansen, C.P.; Petersen, J.G.; Jensen, A.A.; Rohde, L.A.H.; Ahring, P.K.; Nielsen, E.O.; Kastrup, J.S.; Gajhede, M.; Frolund, B.; Balle, T.: Synthesis, Pharmacology, and Biostructural Characterization of Novel α₄β₂ Nicotinic Acetylcholine Receptor Agonists. , Journal of Medicinal Chemistry 56 (2013), p. 940-951
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Krug, U.; Totzauer, R.; Zebisch, M.; Strater, N.: The ATP/ADP Substrate Specificity Switch between Toxoplasma gondii NTPDase1 and NTPDase3 is Caused by an Altered Mode of Binding of the Substrate Base. , ChemBioChem 14 (2013), p. 2292-2300
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Kober, F.X.; Koelmel, W.; Kuper, J.; Drechsler, J.; Mais, C.; Hermanns, H.M.; Schindelin, H.: The Crystal Structure of the Protein-Disulfide Isomerase Family Member ERp27 Provides Insights into Its Substrate Binding Capabilities. , Journal of Biological Chemistry 288 (2013), p. 2029-2039
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Krug, U.; Totzauer, R.; Straeter, N.: The crystal structure of Toxoplasma gondii nucleoside triphosphate diphosphohydrolase 1 represents a conformational intermediate in the reductive activation mechanism of the tetrameric enzyme. , Proteins - Structure, Function and Bioinformatics 81 (2013), p. 1271-1276
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Ruszkowski, M.; Szpotkowski, K.; Sikorski, M.; Jaskolski, M.: The landscape of cytokinin binding by a plant nodulin. , Acta Crystallographica Section D - Biological Crystallography 69 (2013), p. 2365-2380
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Pastor-Flores, D.; Schulze, J.O.; Bahi, A.; Giacometti, R.; Ferrer-Dalmau, J.; Passeron, S.; Engel, M.; Suess, E.; Casamayor, A.; Biondi, R.M.: The Pif-Pocket as a Target for C. Albicans Pkh Selective Inhibitors. , ACS Chemical Biology 8 (2013), p. 2283-2292
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Pietrzyk, A.J.; Bujacz, A.; Müller-Dieckmann, J.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: Two Crystal Structures of Bombyx mori Lipoprotein 3-Structural Characterization of a New 30-kDa Lipoprotein Family Member. , PLoS One 8 (2013), p. e61303/1-10
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Bischoff, Nils: Vergleichende Strukturanalyse zweier paraloger Isoformen der humanen Proteinkinase CK2 alpha. , Köln, Universität, Diss., 2013

Böhme, T.; Engel, C.K.; Farjot, G.; Gussregen, S.; Haack, T.; Tschank, G.; Ritter, K.: 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11-HSD1 inhibitors for the treatment of diabetes. , Bioorganic & Medicinal Chemistry Letters 23 (2013), p. 4685-4691
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Tan, J.; George, S.; Kusov, Y.; Perbandt, M.; Anemuller, S.; Mesters, J.R.; Norder, H.; Coutard, B.; Lacroix, C.; Leyssen, P.; Neyts, J.; Hilgenfeld, R.: 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. , Journal of Virology 87 (2013), p. 4339-4351
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Brand, J.; Smith, E.S.; Schwefel, D.; Lapatsina, L.; Poole, K.; Omerbasic, D.; Kozlenkov, A.; Behlke, J.; Lewin, G.R.; Daumke, O.: A stomatin dimer modulates the activity of acid-sensing ion channels. , The EMBO Journal 31 (2012), p. 3635-3646
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Sevvana, M.; Goetz, C.; Goeke, D.; Wimmer, C.; Berens, C.; Hillen, W.; Muller, Y.A.: An Exclusive α/β Code Directs Allostery in TetR-Peptide Complexes. , Journal of Molecular Biology : jmb 416 (2012), p. 46-56
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Czihal, P.; Knappe, D.; Fritsche, S.; Zahn, Mi.; Berthold, N.; Piantavigna, S.; Müller, U.; Van Dorpe, S.; Herth, N.; Binas, A.; Köhler, G.; De Spiegeleer, B.; Martin, L.L.; Nolte, O.; Sträter, N.; Alber, G.; Hoffmann, R.: Api88 Is a Novel Antibacterial Designer Peptide To Treat Systemic Infections with Multidrug-Resistant Gram-Negative Pathogens. , ACS Chemical Biology 7 (2012), p. 1281-1291
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Andres, Dorothee: Biophysical chemistry of lipopolysaccharide specific bacteriophages. , Potsdam, Universität Potsdam, Diss., 2012

Gardill, B.R.; Vogl, M.R.; Lin, H.-Y.; Hammond, G.L; Muller, Y.A.: Corticosteroid-Binding Globulin: Structure-Function Implications from Species Differences. , PLoS One 7 (2012), p. e52759/1-11
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Riegler, H.; Herter, T.; Grishkovskaya, I.; Lude, A.; Ryngajllo, M.; Bolger, M.E.; Essigmann, B.; Usadel, B.: Crystal structure and functional characterization of a glucosamine-6-phosphate N-acetyltransferase from Arabidopsis thaliana. , Biochemical Journal 443 (2012), p. 427-437
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Simeonov, P.; Zahn, M.; Sträter, N.; Zuchner, T.: Crystal structure of a supercharged variant of the human enteropeptidase light chain. , Proteins - Structure, Function and Bioinformatics 80 (2012), p. 1907-1910
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Karlberg, T.; Thorsell, A.-G.; Kallas, A.; Schüler, H.: Crystal Structure of Human ADP-ribose Transferase ARTD15/PARP16 Reveals a Novel Putative Regulatory Domain. , Journal of Biological Chemistry 287 (2012), p. 24077-24081
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Boumis, G.; Giardina, G.; Angelucci, F.; Bellelli, A.; Brunori, M.; Dimastrogiovanni, D.; Saccoccia, F.; Miele, A.E.: Crystal structure of Plasmodium falciparum thioredoxin reductase, a validated drug target. , Biochemical and Biophysical Research Communications 425 (2012), p. 806-811
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Metlitzky, M.; Puehringer, S.; Fisher, S.J.: Crystal structure of PqqB from Pseudomonas putida at 2.2 Å resolution. , Journal of Biophysical Chemistry 3 (2012), p. 206-210
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Chauviac, F.-X.; Bommer, M.; Yan, J.; Parkin, G.; Daviter, T.; Lowden, P.; Raven, E.L.; Thalassinos, K.; Keep, N.H.: Crystal Structure of Reduced Msacg, a Putative Nitroreductase from Mycobacterium Smegmatis and a Close Homologue of Mycobacterium Tuberculosis Acg. , Journal of Biological Chemistry 287 (2012), p. 44372-44383
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Knapp, K.; Zebisch, M.; Pippel, J.; El-Tayeb, A.; Mueller, C.E.; Sträter, N.: Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights into the Regulation of Purinergic Signaling. , Structure 20 (2012), p. 2161-2173
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Bulut, H.; Moniot, S.; Licht, A.; Scheffel, F.; Gathmann, S.; Saenger, W.; Schneider, E.: Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria gonorrhoeae. , Journal of Molecular Biology : jmb 415 (2012), p. 560
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Banaszak, K.; Martin-Diaconescu, V.; Bellucci, M.; Zambelli, B.; Rypniewski, W.; Maroney, M.J.; Ciurli, S.: Crystallographic and X-ray absorption spectroscopic characterization of Helicobacter pylori UreE bound to Ni²⁺ and Zn²⁺ reveals a role for the disordered C-terminal arm in metal trafficking. , Biochemical Journal 441 (2012), p. 1017-1026
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Kofler, S.; Asam, C.; Eckhard, U.; Wallner, M.; Ferreira, F.; Brandstetter, H.: Crystallographically Mapped Ligand Binding Differs in High and Low IgE Binding Isoforms of Birch Pollen Allergen Bet v 1. , Journal of Molecular Biology : jmb 422 (2012), p. 109-123
doi: 10.1016/j.jmb.2012.05.016

Wuttge, S.; Bommer, M.; Jäger, F.; Martins, B.M.; Jacob, S.; Licht, A.; Scheffel, F.; Dobbek, H.; Schneider, E.: Determinants of substrate specificity and biochemical properties of the sn-glycerol-3-phosphate ATP binding cassette transporter (UgpB-AEC₂) of Escherichia coli. , Molecular Microbiology 86 (2012), p. 908-920
doi: 10.1111/mmi.12025

Andersson, C.D.; Karlberg, T.; Ekblad, T.; Lindgren, A.E.G.; Thorsell, A.-G.; Spjut, S.; Uciechowska, U.; Niemiec, M.S.; Wittung-Stafshede, P.; Weigelt, J.; Elofsson, M.; Schüler, H.; Linusson, A.: Discovery of Ligands for ADP-Ribosyltransferases via Docking-Based Virtual Screening. , Journal of Medicinal Chemistry 55 (2012), p. 7706-7718
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Behnen, J.; Köster, H.; Neudert, G.; Craan, T.; Heine, A.; Klebe, G.: Experimental and Computational Active Site Mapping as a Starting Point to Fragment-Based Lead Discovery. , ChemMedChem 7 (2012), p. 248-261
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Schiefner, A.; Gebauer, M.; Skerra, A.: Extra-domain B in Oncofetal Fibronectin Structurally Promotes Fibrillar Head-to-tail Dimerization of Extracellular Matrix Protein. , Journal of Biological Chemistry 287 (2012), p. 17578-17588
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Mueller, U.; Darowski, N.; Fuchs, M.R.; Förster, R.; Hellmig, M.; Paithankar, K.S.; Pühringer, S.; Steffien, M.; Zocher, G.; Weiss, M.S.: Facilities for macromolecular crystallography at the Helmholtz-Zentrum Berlin. , Journal of Synchrotron Radiation 19 (2012), p. 442-449
doi: 10.1107/S0909049512006395

Kügler, J.; Schmelz, S.; Gentzsch, J.; Haid, S.; Pollmann, E.; van den Heuvel, J.; Franke, R.; Pietschmann, T.; Heinz, D.W.; Collins, J.: High Affinity Peptide Inhibitors of the Hepatitis C Virus NS3-4A Protease Refractory to Common Resistant Mutants. , Journal of Biological Chemistry 287 (2012), p. 39224-39232
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Pietrzyk, A.J.; Panjikar, S.; Bujacz, A.; Mueller-Dieckmann, J.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: High-resolution structure of Bombyx mori lipoprotein 7: crystallographic determination of the identity of the protein and its potential role in detoxification. , Acta Crystallographica Section D - Biological Crystallography 68 (2012), p. 1140-1151
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Barison, N.; Lambers, J.; Hurwitz, R.; Kolbe, M.: Interaction of MxiG with the cytosolic complex of the type III secretion system controls Shigella virulence. , The FASEB Journal 26 (2012), p. 1717-1726
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Haas, Claudia Maria: Kristallographische und biochemische Charakterisierung des Golgi-assoziierten Proteins GRASP65 und seines Hefehomologen Grh1. , Berlin, Freie Universität Berlin, Diss., 2012

Klopffleisch, K.; Issinger, O.-G.; Niefind, K.: Low-density crystal packing of human protein kinase CK2 catalytic subunit in complex with resorufin or other ligands: a tool to study the unique hinge-region plasticity of the enzyme without packing bias. , Acta Crystallographica Section D - Biological Crystallography 68 (2012), p. 883-892
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Dahms, S.O.; Koennig, I.; Roeser, D.; Guehrs, K.-H.; Mayer, M.C.; Kaden, D.; Multhaup, G.; Than, M.E.: Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain. , Journal of Molecular Biology : jmb 416 (2012), p. 438-452
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Morgado, I.; Wieligmann, K.; Bereza, M.; Roenicke, R.; Meinhardt, K.; Annamalai, K.; Baumann, M.; Wacker, J.; Hortschansky, P.; Malesevic, M.; Parthier, C.; Mawrin, C.; Schiene-Fischer, C.; Reymann, K.G.; Stubbs, M.T.; Balbach, J.; Görlach, M.; Horn, U.; Fändrich, M.: Molecular basis of β-amyloid oligomer recognition with a conformational antibody fragment. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 109 (2012), p. 12503-12508
doi: 10.1073/pnas.1206433109

Kirchner, F.; Schuetz, A.; Boldt, L.-H.; Martens, K.; Dittmar, G.; Haverkamp, W.; Thierfelder, L.; Heinemann, U.; Gerull, B.: Molecular Insights into Arrhythmogenic Right Ventricular Cardiomyopathy Caused by Plakophilin-2 Missense Mutations. , Circulation-Cardiovascular Genetics 5 (2012), p. 400-411
doi: 10.1161/CIRCGENETICS.111.961854

Saccoccia, F.; Di Micco, P.; Boumis, G.; Brunori, M.; Koutris, I.; Miele, A.E.; Morea, V.; Sriratana, P.; Williams, D.L.; Bellelli, A.; Angelucci, F.: Moonlighting by Different Stressors: Crystal Structure of the Chaperone Species of a 2-Cys Peroxiredoxin. , Structure 20 (2012), p. 429-439
doi: 10.1016/j.str.2012.01.004

Skalova, T.; Kotynkova, K.; Duskova, J.; Hasek, J.; Koval, T.; Kolenko, P.; Novak, P.; Man, P.; Hanc, P.; Vanek, O.; Bezouska, K.; Dohnalek, J.: Mouse Clr-g, a Ligand for NK Cell Activation Receptor NKR-P1F: Crystal Structure and Biophysical Properties. , Journal of Immunology 189 (2012), p. 4881-4889
doi: 10.4049/jimmunol.1200880

Hardegger, Leo Albert: Multidimensional approach towards the quantification of weak intermolecular interactions. , Zürich, Eidgenössische Technische Hochschule Zürich (ETH), Diss., 2012

Myllykoski, M.; Raasakka, A.; Han, H.; Kursula, P.: Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation. , PLoS One 7 (2012), p. e32336/1-12
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Knauer, S.H.; Buckel, W.; Dobbek, H.: On the ATP-Dependent Activation of the Radical Enzyme (R)-2-Hydroxyisocaproyl-CoA Dehydratase. , Biochemistry 51 (2012), p. 6609-6622
doi: 10.1021/bi300571z

Schlundt, A.; Günther, S.; Sticht, J.; Wieczorek, M.; Roske, Y.; Heinemann, U.; Freund, C.: Peptide Linkage to the alpha-Subunit of MHCII Creates a Stably Inverted Antigen Presentation Complex. , Journal of Molecular Biology : jmb 423 (2012), p. 294-302
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Pflug, Alexander: Protein kinase selectivity mechanisms and structure assisted drug discovery. , Tromsø, University of Tromsø, thesis, 2012

Hein, Kim Langmach; Nissen, Poul; Morth, Jens Preben: Purification, crystallization and preliminary crystallographic studies of a PacL homologue from Listeria monocytogenes. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 424-427
doi: 10.1107/S1744309112004046

Griessl, M.H.; Jungkunz, I.; Sonnewald, U.; Muller, Y.A.: Purification, crystallization and preliminary X-ray diffraction analysis of the Hsp40 protein CPIP1 from Nicotiana tabacum. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 236-239
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Klinglmayr, E.; Wenger, J.; Mayr, S.; Bossy-Wetzel, E.; Puehringer, S.: Purification, crystallization and X-ray diffraction analysis of human dynamin-related protein 1 GTPase-GED fusion protein. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 68 (2012), p. 1217-1221
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Arnold, U.; Schöpfel, M.: Significant stabilization of ribonuclease A by additive effects. , FEBS Journal 279 (2012), p. 2508-2519
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Schiebel, J.; Chang, A.; Lu, H.; Baxter, M.V.; Tonge, P.J.; Kisker, C.: Staphylococcus aureus Fabl: Inhibition, Substrate Recognition, and Potential Implications for In Vivo Essentiality. , Structure 20 (2012), p. 802-813
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Rakette, Sonja Natalie: Structural Analysis of Serine/Threonine Protein Kinase B and Multiple Peptide Resistant Factor of Staphylococcus aureus. , Tübingen, Universität, Diss., 2012

Hanna, J.; Schuetz, A.; Zimmermann, F.; Behlke, J.; Sommer, T.; Heinemann, U.: Structural and Biochemical Basis of Yos9 Protein Dimerization and Possible Contribution to Self-association of 3-Hydroxy-3-methylglutaryl-Coenzyme A Reductase Degradation Ubiquitin-Ligase Complex. , Journal of Biological Chemistry 287 (2012), p. 8633-8640
doi: 10.1074/jbc.M111.317644

Eibl, C.; Grigoriu, S.; Hessenberger, M.; Wenger, J.; Puehringer, S.; Pinheiro, A.S.; Wagner, R.N.; Proell, M.; Reed, J.C.; Page, R.; Diederichs, K.; Peti, W.: Structural and Functional Analysis of the NLRP4 Pyrin Domain. , Biochemistry 51 (2012), p. 7330-7341
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Lüdtke, Stefan: Structural and Funtional Studies on VitaminB1-Dependent Human and Bacterial Transketolases. , Uni Göttingen, 2012

Santos, K.F.; Jovin, S.M.; Weber, G.; Pena, V.; Luehrmann, R.; Wahl, M.C.: Structural basis for functional cooperation between tandem helicase cassettes in Brr2-mediated remodeling of the spliceosome. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 109 (2012), p. 17418-17423
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Maestre-Reyna, M.; Diderrich, R.; Veelders, M.S.; Eulenburg, G.; Kalugin, V.; Brückner, S.; Keller, P.; Rupp, S.; Mosch, H.-U.; Essen, L.-O.: Structural basis for promiscuity and dpecificity during Candida Glabrata invasion of host epithelia. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 109 (2012), p. 16864-16869
doi: 10.1073/pnas.1207653109

Krug, U.; Zebisch, M.; Krauss, M.; Straeter, N.: Structural Insight into Activation Mechanism of Toxoplasma gondii Nucleoside Triphosphate Diphosphohydrolases by Disulfide Reduction. , Journal of Biological Chemistry 287 (2012), p. 3051-3066
doi: 10.1074/jbc.M111.294348

Thorn, A.; Steinfeld, R.; Ziegenbein, M.; Grapp, M.; Hsiao, H.-H.; Urlaub, H.; Sheldrick, G.M.; Gaertner, J.; Kraetzner, R.: Structure and activity of the only human RNase T2. , Nucleic Acids Research 40 (2012), p. 8733-8742
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Hirschbeck, M.W.; Kuper, J.; Lu, H.; Liu, N.; Neckles, C.; Shah, S.; Wagner, S.; Sotriffer, C.A.; Tonge, P.J.; Kisker, C.: Structure of the Yersinia pestis FabV Enoyl-ACP Reductase and Its Interaction with Two 2-Pyridone Inhibitors. , Structure 20 (2012), p. 89-100
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Hirschbeck, Maria Wenefriede: Structure-based drug design on the enoyl-ACP reductases of Yersinia pestis and Burkholderia pseudomallei. , Würzburg, Universität Würzburg, Diss., 2012

Bulut, Haydar: Structures of carbohydrate, cysteine and cystine binding receptors of ATP-Binding Cassette (ABC) Transporters. , Berlin, Freie Universität Berlin, Diss., 2012

Neu, U.; Hengel, H.; Baum, B.S.; Schowalter, R.M.; Macejak, D.; Gilbert, M.; Wakarchuk, W.W.; Imamura, A.; Ando, H.; Kiso, M.; Arnberg, N.; Garcea, R.L.; Peters, T.; Buck, C.B.; Stehle, T.: Structures of Merkel cell polyomavirus VP1 complexes define a sialic acid binding site required for infection. , PLoS Pathogens 8 (2012), p. e1002738/1-11
doi: 10.1371/journal.ppat.1002738

Kovaľ, Tomáš: Strukturní analýza bifunkční rostlinné nukleázy TBN1 = Structure analysis of plant bifunctional nuclease TBN1. , Prag, Univerzita Karlova, 2012

Busschots, K.; Lopez-Garcia, L.A.; Lammi, C.; Stroba, A.; Zeuzem, S.; Piiper, A.; Alzari, P.M.; Neimanis, S.; Arencibia, J.M.; Engel, M.; Schulze, J.O.; Biondi, R.M.: Substrate-Selective Inhibition of Protein Kinase PDK1 by Small Compounds that Bind to the PIF-Pocket Allosteric Docking Site. , Chemistry & Biology 19 (2012), p. 1152-1163
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Gitto, R.; Damiano, F.M.; Mader, P.; De Luca, L.; Ferro, S.; Supuran, C.T.; Vullo, D.; Brynda, J.; Rezacova, P.; Chimirri, A.: Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors. , Journal of Medicinal Chemistry 55 (2012), p. 3891-3899
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Andresen, D.; Roske, Y.; Doering, C.; Heinemann, U.; Seckler, R.; Barbirz, S.: Tail morphology controls DNA release in two Salmonella phages with one lipopolysaccharide receptor recognition system. , Molecular Microbiology 83 (2012), p. 1244-1253
doi: 10.1111/j.1365-2958.2012.08006.x

Fiorillo, A.; Colotti, G.; Boffi, A.; Baiocco, P.; Ilari, A.: The Crystal Structures of the Tryparedoxin-Tryparedoxin Peroxidase Couple Unveil the Structural Determinants of Leishmania Detoxification Pathway. , PLoS Neglected Tropical Diseases 6 (2012), p. e1781/1-16
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Mayr, F.; Schütz, A.; Döge, N.; Heinemann, U.: The Lin28 cold-shock domain remodels pre-let-7 microRNA. , Nucleic Acids Research 40 (2012), p. 7492-7506
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Andersson, C.S.; Öhrstrom, M.; Popovic-Bijelic, A.; Gräslund, A.; Stenmark, P.; Högbom, M.: The Manganese Ion of the Heterodinuclear Mn/Fe Cofactor in Chlamydia trachomatis Ribonucleotide Reductase R2c Is Located at Metal Position 1. , Journal of the American Chemical Society 134 (2012), p. 123-125
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Parthier, C.; Görlich, S.; Jaenecke, F.; Breithaupt, C.; Bräuer, U.; Fandrich, U.; Clausnitzer, D.; Wehmeier, U.F.; Böttcher, C.; Scheel, D.; Stubbs, M.T.: The O-Carbamoyltransferase TobZ Catalyzes an Ancient Enzymatic Reaction. , Angewandte Chemie - International Edition 51 (2012), p. 4046-4052
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Krug, M.; Weiss, M.S.; Heinemann, U.; Mueller, U.: XDSAPP: a graphical user interface for the convenient processing of diffraction data using XDS. , Journal of Applied Crystallography 45 (2012), p. 568-572
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2011

Spjut, S.; Qian, W.; Bauer, J.; Storm, R.; Frängsmyr, L.; Stehle, T.; Arnberg, N.; Elofsson, M.: A Potent Trivalent Sialic Acid Inhibitor of Adenovirus Type 37 Infection of Human Corneal Cells. , Angewandte Chemie - International Edition 50 (2011), p. 6519-6521
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Venskutonyte, R.; Frydenvang, K.; Gajhede, M.; Bunch, L.; Pickering, D.S.; Kastrup, J.S.: Binding site and interlobe interactions of the ionotropic glutamate receptor GluK3 ligand binding domain revealed by high resolution crystal structure in complex with (S)-glutamate. , Journal of Structural Biology 176 (2011), p. 307-314
doi: 10.1016/j.jsb.2011.08.014

Patton, G.C.; Stenmark, P.; Gollapalli, D.R.; Sevastik, R.; Kursula, P.; Flodin, S.; Schuler, H.; Swales, C.T.; Eklund, H.; Himo, F.; Nordlund, P.; Hedstrom, L.: Cofactor mobility determines reaction outcome in the IMPDH and GMPR (β-α)-8 Barrel Enzymes. , Nature Chemical Biology 7 (2011), p. 950-958
doi: 10.1038/nchembio.693

Schulz, E.C.; Bergfeld, A.K.; Ficner, R.; Mühlenhoff, M.: Crystal structure analysis of the polysialic acid specific O-acetyltransferase NeuO. , PLoS One 6 (2011), p. e17403/1-9
doi: 10.1371/journal.pone.0017403

Svensson, L.M.; Jemth, A.-S.; Desroses, M.; Loseva, O.; Helleday, T.; Högbom, M.; Stenmark, P.: Crystal structure of human MTH1 and the 8-oxo-dGMP product complex. , FEBS Letters 585 (2011), p. 2617-2621
doi: 10.1016/j.febslet.2011.07.017

Faelber, K.; Posor, Y.; Gao, S.; Held, M.; Roske, Y.; Schulze, D.; Haucke, V.; Noe, F.; Daumke, O.: Crystal structure of nucleotide-free dynamin. , Nature 477 (2011), p. 556-560
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Eichinger, A.; Haneburger, I.; Koller, C.; Jung, K.; Skerra, A.: Crystal structure of the sensory domain of Escherichia coli CadC, a member of the ToxR-like protein family. , Protein Science 20 (2011), p. 656-669
doi: 10.1002/pro.594

Bujacz, A.; Jedrzejczak-Krzepkowska, M.; Bielecki, S.; Redzynia, I.; Bujacz, G.: Crystal structures of the apo form of β-fructofuranosidase from Bifidobacterium longum and its complex with fructose. , FEBS Journal 278 (2011), p. 1728-1744
doi: 10.1111/j.1742-4658.2011.08098.x

Licht, A.; Bulut, H.; Scheffel, F.; Daumke, O.; Wehmeier, U.F.; Saenger, W.; Schneider, E.; Vahedi-Faridi, A.: Crystal structures of the bacterial solute receptor AcbH displaying an exclusive substrate preference for beta-_D-galactopyranose. , Journal of Molecular Biology : jmb 406 (2011), p. 92-105
doi: 10.1016/j.jmb.2010.11.048

Sturm, K.U.; Griessl, M.H.; Wagner, C.; Deiwick, J.; Hensel, M.; Muller, Y.A.: Crystallization and preliminary crystallographic analysis of an Ig-domain-encompassing fragment of the giant adhesion protein SiiE from Salmonella enterica. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 1371-1374
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Stsiapanava, A.; Chaloupkova, R.; Fortova, A.; Brynda, J.; Weiss, M.S.; Damborsky, J.; Kuta Smatanova, I.: Crystallization and preliminary X-ray diffraction analysis of the wild-type haloalkane dehalogenase DhaA and its variant DhaA13 complexed with different ligands. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 253-257
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Koval, T.; Lipovova, P.; Podzimek, T.; Matousek, J.; Duskova, J.; Skalova, T.; Stepankova, A.; Hasek, J.; Dohnalek, J.: Crystallization of recombinant bifunctional nuclease TBN1 from tomato. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 124-128
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Kravchenko, O.V.; Mitroshin, I.V.; Gabdulkhakov, A.G.; Nikonov, S.V.; Garber, M.B.: Crystallization of the two-domain N-terminal fragment of the archaeal ribosomal protein L10(P0) in complex with a specific fragment of 23S rRNA. , Crystallography Reports 56 (2011), p. 702-704
doi: 10.1134/S1063774511040109

Saupe, J.; Roske, Y.; Schillinger, C.; Kamdem, N.; Radetzki, S.; Diehl, A.; Oschkinat, H.; Krause, G.; Heinemann, U.; Rademann, J.: Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain. , ChemMedChem 6 (2011), p. 1411-1422
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Firczuk, M.; Wojciechowski, M.; Czapinska, H.; Bochtler, M.: DNA intercalation without flipping in the specific ThaI–DNA complex. , Nucleic Acids Research 39 (2011), p. 744-754
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Bischoff, N.; Raaf, J.; Olsen, B.; Bretner, M.; Issinger, O.-G.; Niefind, K.: Enzymatic activity with an incomplete catalytic spine: insights from a comparative structural analysis of human CK2α and its paralogous isoform CK2α'. , Molecular and Cellular Biochemistry 356 (2011), p. 57-65
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Hänzelmann, P.; Buchberger, A.; Schindelin, H.: Hierarchical binding of cofactors to the AAA ATPase p97. , Structure 19 (2011), p. 833-843
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Sokolowska, M.; Czapinska, H.; Bochtler, M.: Hpy188I–DNA pre- and post-cleavage complexes - snapshots of the GIY-YIG nuclease mediated catalysis. , Nucleic Acids Research 39 (2011), p. 1554-1564
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Baiocco, P.; Ilari, A.; Ceci, P.; Orsini, S.; Gramiccia, M.; Di Muccio, T.; Colotti, G.: Inhibitory Effect of Silver Nanoparticles on Trypanothione Reductase Activity and Leishmania infantum Proliferation. , ACS Medicinal Chemistry Letters 2 (2011), p. 230-233
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Haneburger, Ina Maria Suntka: Insights into the molecular signal perception mechanism of the membrane-integrated transcriptional activator CadC of Escherichia coli. , LMU München, 2011

Pietrzyk, A.J.; Bujacz, A.; Lochynska, M.; Jaskolski, M.; Bujacz, G.: Isolation, purification, crystallization and preliminary X-ray studies of two 30 kDa proteins from silkworm haemolymph. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 372-376
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Chinthalapudi, K.; Taft, M.H.; Martin, R.; Heissler, S.M.; Preller, M.; Hartmann, F.K.; Brandstaetter, H.; Kendrick-Jones, J.; Tsiavaliaris, G.; Gutzeit, H.O.; Fedorov, R.; Buss, F.; Knoelker, H.J.; Coluccio, L.M.; Manstein, D.J.: Mechanism and Specificity of Pentachloropseudilin-Mediated Inhibition of Myosin Motor Activity. , Journal of Biological Chemistry 286 (2011), p. 29700-29708
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Kolenko, P.; Rozbesky, D.; Vanek, O.; Kopecky, V.; Hofbauerova, K.; Novak, P.; Pompach, P.; Hasek, J.; Skalova, T.; Bezouska, K.; Dohnalek, J.: Molecular architecture of mouse activating NKR-P1 receptors. , Journal of Structural Biology 175 (2011), p. 434-441
doi: 10.1016/j.jsb.2011.05.001

Pflug, A.; de Oliveira, T.M.; Bossemeyer, D.; Engh, R.A.: Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase. , Biochemical Journal 440 (2011), p. 85-93
doi: 10.1042/BJ20110592

Roth, Heide Marie: Nucleotide Excision Repair : from recognition to incision of damaged DNA. , Würzburg, Universität Würzburg, Diss., 2011

Giardina, G.; Montioli, R.; Gianni, S.; Cellini, B.; Paiardini, A.; Voltattorni, C.B.; Cutruzzola, F.: Open conformation of human DOPA decarboxylase reveals the mechanism of PLP addition to Group II decarboxylases. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 108 (2011), p. 20514-20519
doi: 10.1073/pnas.1111456108

Zhu, L.; George, S.; Schmidt, M.F.; Al-Gharabli, S.I.; Rademann, J.; Hilgenfeld, R.: Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease. , Antiviral Research 92 (2011), p. 204-212
doi: 10.1016/j.antiviral.2011.08.001

Strube, C.P.; Homann, A.; Gamer, M.; Jahn, D.; Seibel, J.; Heinz, D.W.: Polysaccharide Synthesis of the Levansucrase SacB from Bacillus megaterium Is Controlled by Distinct Surface Motifs. , Journal of Biological Chemistry 286 (2011), p. 17593-17600
doi: 10.1074/jbc.M110.203166

Thorn, Andrea: Practical approaches to macromolecular X-ray structure determination. , Göttingen, Georg-August-Universität, Diss., 2011

Patel, A.K.; Singh, V.K.; Bergmann, U.; Jagannadham, M.V.; Kursula, P.: Purification, crystallization and preliminary X-ray crystallographic analysis of MIL, a glycosylated jacalin-related lectin from mulberry (Morus indica) latex. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 608-612
doi: 10.1107/S174430911101013X

Venier, O.; Pascal, C.; Braun, A.; Namane, C.; Mougenot, P.; Crespin, O.; Pacquet, F.; Mougenot, C.; Monseau, C.; Onofri, B.; Dadji-Faihun, R.; Leger, C.; Ben-Hassine, M.; Van-Pham, T.; Ragot, J.L.; Philippo, C.; Gussregen, S.; Engel, C.; Farjot, G.; Noah, L.; Maniani, K.; Nicolai, E.: Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11beta-hydroxysteroid-dehydrogenase type 1. , Bioorganic & Medicinal Chemistry Letters 21 (2011), p. 2244-2251
doi: 10.1016/j.bmcl.2011.02.111

Martinez, J.; Mancini, S.; Tauberger, E.; Weise, C.; Saenger, W.; Solioz, M.: Regulation and structure of YahD, a copper inducible α/β hydrolase of Lactococcus lactis IL1403. , FEMS Microbiology Letters 314 (2011), p. 57-66
doi: 10.1111/j.1574-6968.2010.02144.x

Von Kleist, L.; Stahlschmidt, W.; Bulut, H.; Gromova, K.; Puchkov, D.; Robertson, M.J.; Macgregor, K.A.; Tomlin, N.; Pechstein, A.; Chau, N.; Chircop, M.; Sakoff, J.; Von Kries, J.P.; Saenger, W.; Krausslich, H.; Shupliakov, O.; Robinson, P.J.; Mccluskey, A.; Haucke, V.: Role of the Clathrin Terminal Domain in Regulating Coated Pit Dynamics Revealed by Small Molecule Inhibition. , Cell 146 (2011), p. 471-484
doi: 10.1016/j.cell.2011.06.025

Tishchenko, S.; Nikonova, E.; Kostareva, O.; Gabdulkhakov, A.; Piendl, W.; Nevskaya, N.; Garber, M.; Nikonov, S.: Structural analysis of interdomain mobility in ribosomal L1 proteins. , Acta Crystallographica Section D - Biological Crystallography 67 (2011), p. 1023-1027
doi: 10.1107/S0907444911043435

Schwefel, David: Structural and functional analysis of immunity-associated GTPases. , Berlin, Freie Universität Berlin, Diss., 2011

Ezerski, Verena Kathrin: Structural and functional characterization of A-kinase anchoring protein 18. , Berlin, Freie Universität Berlin, Diss., 2011

Boumis, G.; Angelucci, F.; Bellelli, A.; Brunori, M.; Dimastrogiovanni, D.; Miele, A.E.: Structural and functional characterization of Schistosoma mansoni Thioredoxin. , Protein Science 20 (2011), p. 1069-1076
doi: 10.1002/pro.634

Wang, Chengcheng: Structural and functional studies of the yeast TRAPP associated protein Tca17 and organization of human TRAPP tethering complexes. , Berlin, Freie Universität Berlin, Diss., 2011

Gao, Song: Structural and functional study of human MxA protein. , Berlin, Freie Universität Berlin, Diss., 2011

Hansen, G.; Heitmann, A.; Witt, T.; Li, H.; Jiang, H.; Shen, X.; Heussler, V.T.; Rennenberg, A.; Hilgenfeld, R.: Structural Basis for the Regulation of Cysteine-Protease Activity by a New Class of Protease Inhibitors in Plasmodium. , Structure 19 (2011), p. 919-929
doi: 10.1016/j.str.2011.03.025

Hee, Chee Seng: Structural, biophysical and evolutionary aspects of chicken MHC class I molecules. , Berlin, Freie Universität Berlin, Diss., 2011

Zocher, G.; Richter, M.E.A.; Mueller, U.; Hertweck, C.: Structural fine-tuning of a multifunctional cytochrome p450 monooxygenase. , Journal of the American Chemical Society 133 (2011), p. 2292 - 2302
doi: 10.1021/ja110146z

Günther, Sebastian: Structural Investigations of MHC Class II Conformers. , Berlin, Freie Universität Berlin, Diss., 2011

Dohnalek, J.; Koval, T.; Lipovova, P.; Podzimek, T.; Matousek, J.: Structure analysis of group I plant nucleases. , Journal of Synchrotron Radiation 18 (2011), p. 29 - 30
doi: 10.1107/S0909049510030700

Zarzycki, M.; Kolodziejczyk, R.; Maciaszczyk-Dziubinska, E.; Wysocki, R.; Jaskolski, M.; Dzugaj, A.: Structure of E69Q mutant of human muscle fructose-1,6-bisphosphatase. , Acta Crystallographica Section D - Biological Crystallography 67 (2011), p. 1028-1034
doi: 10.1107/S090744491104385X

Skalova, T.; Duskova, J.; Hasek, J.; Stepankova, A.; Koval, T.; Ostergaard, L.H.; Dohnaklek, J.: Structure of laccase from Streptomyces coelicolor after soaking with potassium hexacyanoferrate and at an improved resolution of 2.3 Å. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 27-32
doi: 10.1107/S1744309110046099

Gao, S.; von der Malsburg, A.; Dick, A.; Faelber, K.; Schröder, G.F.; Haller, O.; Kochs, G.; Daumke, O.: Structure of Myxovirus Resistance Protein A Reveals Intra- and Intermolecular Domain Interactions Required for the Antiviral Function. , Immunity 35 (2011), p. 514-525
doi: 10.1016/j.immuni.2011.07.012

Bischoff, N.; Olsen, B.; Raaf, J.; Bretner, M.; Issinger, O.-G.; Niefind, K.: Structure of the Human Protein Kinase CK2 Catalytic Subunit CK2α' and Interaction Thermodynamics with the Regulatory Subunit CK2β. , Journal of Molecular Biology : jmb 407 (2011), p. 1-12
doi: 10.1016/j.jmb.2011.01.020

Kolenko, P.; Rozbesky, D.; Vanek, O.; Bezouska, K.; Hasek, J.; Dohnalek, J.: Structure of the H107R variant of the extracellular domain of mouse NKR-P1A at 2.3 Å resolution. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 1519-1523
doi: 10.1107/S1744309111046203

Tarnawski, M.; Krzywda, S.; Bialek, W.; Jaskolski, M.; Szczepaniak, A.: Structure of the RuBisCO chaperone RbcX from the thermophilic cyanobacterium Thermosynechococcus elongatus. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 851-857
doi: 10.1107/S1744309111018860

Jaciuk, M.; Nowak, E.; Skowronek, K.; Tanska, A.; Nowotny, M.: Structure of UvrA nucleotide excision repair protein in complex with modified DNA. , Nature Structural & Molecular Biology 18 (2011), p. 191-198
doi: 10.1038/nsmb.1973

Schmidt, Friederike: Structure-Function Analysis of the PEX3-PEX19 Interaction : an improved Understanding of peroxisomal Membrane Biogenesis. , Tübingen, Universität, Diss., 2011

Hanna, Jennifer: Strukturelle und funktionelle Untersuchungen an Qualitätskontrollproteinen des Endoplasmatischen Retikulums. , Berlin, Freie Universität Berlin, Diss., 2011

Fritsch, J.; Scheerer, P.; Frielingsdorf, S.; Kroschinsky, S.; Friedrich, B.; Lenz, O.; Spahn, C.M.T.: The crystal structure of an oxygen-tolerant hydrogenase uncovers a novel iron-sulphur centre. , Nature 479 (2011), p. 249-252
doi: 10.1038/nature10505

Lorenz, S.H.; Jakob, R.P.; Weininger, U.; Balbach, J.; Dobbek, H.; Schmid, F.X.: The Filamentous Phages Fd and If1 Use Different Mechanisms to Infect Escherichia Coli. , Journal of Molecular Biology : jmb 405 (2011), p. 989-1003
doi: 10.1016/j.jmb.2010.11.030

Wrase, R.; Scott, H.; Hilgenfeld, R.; Hansen, G.: The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 108 (2011), p. 10490-10495
doi: 10.1073/pnas.1101084108

Hansen, G.; Schwarzloh, B.; Rennenberg, A.; Heussler, V.T.; Hilgenfeld, R.: The macromolecular complex of ICP and falcipain-2 from Plasmodium: preparation, crystallization and preliminary X-ray diffraction analysis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 67 (2011), p. 1406-1410
doi: 10.1107/S1744309111034592

Hänzelmann, P.; Schindelin, H.: The structural and functional basis of the p97/valosin containing Protein (VCP)-interacting Motif (VIM): Mutually exclusive binding of cofactors to the N-terminal domain of p97. , Journal of Biological Chemistry 286 (2011), p. 38679-38690
doi: 10.1074/jbc.M111.274506

Fiorillo, A.; Federico, R.; Polticelli, F.; Boffi, A.; Mazzei, F.; Di Fusco, M.; Ilari, A.; Tavladoraki, P.: The structure of maize polyamine oxidase K300M mutant in complex with the natural substrates provides a snapshot of the catalytic mechanism of polyamine oxidation. , FEBS Journal 278 (2011), p. 809-821
doi: 10.1111/j.1742-4658.2010.08000.x

Schuetz, A.; Nana, D.; Rose, C.; Zocher, G.; Milanovic, M.; Koenigsmann, J.; Blasig, R.; Heinemann, U.; Carstanjen, D.: The structure of the Klf4 DNA-binding domain links to self-renewal and macrophage differentiation. , Cellular and Molecular Lilfe Sciences 68 (2011), p. 3121-3131
doi: 10.1007/s00018-010-0618-x

Ilari, A.; Alaleona, F.; Petrarca, P.; Battistoni, A.; Chiancone, E.: The X-ray Structure of the Zinc Transporter ZnuA from Salmonella enterica Discloses a Unique Triad of Zinc-Coordinating Histidines. , Journal of Molecular Biology : jmb 409 (2011), p. 630-641
doi: 10.1016/j.jmb.2011.04.036

2010

Skalova, T.; Duskova, J.; Hasek, J.; Kolenko, P.; Stepankova, A.; Dohnalek, J.: Alternative polymer precipitants for protein crystallization. , Journal of Applied Crystallography 43 (2010), p. 737-742
doi: 10.1107/S0021889810014317

Kiliszek, A.; Kierzek, R.; Krzyzosiak, W.J.; Rypniewski, W.: Atomic resolution structure of CAG RNA repeats: structural insights and implications for the trinucleotide repeat expansion diseases. , Nucleic Acids Research 38 (2010), p. 8370-8376
doi: 10.1093/nar/gkq700

Montemiglio, L.C.; Gianni, S.; Vallone, B.; Savino, C.: Azole Drugs Trap Cytochrome P450 EryK in Alternative Conformational States. , Biochemistry 49 (2010), p. 9199-9206
doi: 10.1021/bi101062v

Günther, S.; Schlundt, A.; Sticht, J.; Roske, Y.; Heinemann, U.; Wiesmüller, K.H.; Jung, G.; Falk, K.; Rötzschke, O.; Freund, C.: Bidirectional binding of invariant chain peptides to an MHC class II molecule. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 107 (2010), p. 22219-22224
doi: 10.1073/pnas.1014708107

Lakomek, K.; Dickmanns, A.; Ciirdaeva, E.; Schomacher, L.; Ficner, R.: Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA. , Journal of Molecular Biology : jmb 399 (2010), p. 604-617
doi: 10.1016/j.jmb.2010.04.044

Kolodziejczyk, R.; Michalska, K.; Hernandez-Santoyo, A.; Wahlbom, M.; Grubb, A.; Jaskolski, M.: Crystal structure of human cystatin C stabilized against amyloid formation. , FEBS Journal 277 (2010), p. 1726-1737
doi: 10.1111/j.1742-4658.2010.07596.x

Michalska, K.; Fernandes, H.; Sikorski, M.; Jaskolski, M.: Crystal structure of Hyp-1, a St. John's wort protein implicated in the biosynthesis of hypericin. , Journal of Structural Biology 169 (2010), p. 161-171
doi: 10.1016/j.jsb.2009.10.008

Böhm, K.; Herter, T.; Müller, J.J.; Borriss, R.; Heinemann, U.: Crystal structure of Klebsiella Sp. ASR 1 phytase suggests substrate binding to a preformed active site that meets the requirements of a plant rhizosphere enzyme. , FEBS Journal 277 (2010), p. 1284 - 1296
doi: 10.1111/j.1742-4658.2010.07559.x

Park, Jung Hee: Crystal structure of ligand-free G-protein-coupled receptor opsin. , Berlin, Humboldt Universität, Diss., 2010

Massad, T.; Skaar, K.; Nilsson, H.; Damberg, P.; Henriksson-Peltola, P.; Haggard-Ljungquist, E.; Högbom, M.; Stenmark, P.: Crystal structure of the P2 C-repressor: a binder of non-palindromic direct DNA repeats. , Nucleic Acids Research 38 (2010), p. 7778-7790
doi: 10.1093/nar/gkq626

Wisniewska, M.; Karlberg, T.; Lehtiö, L.; Johansson, I.; Kotenyova, T.; Moche, M.; Schüler, H.: Crystal Structures of the ATPase Domains of Four Human Hsp70 Isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78. , PLoS One 5 (2010), p. e8625/1-8
doi: 10.1371/journal.pone.0008625

Vahedi-Faridi, A.; Licht, A.; Bulut, H.; Scheffel, F.; Keller, S.; Wehmeier, U.F.; Saenger, W.; Schneider, E.: Crystal Structures of the Solute Receptor GacH of Streptomyces glaucescens in Complex with Acarbose and an Acarbose Homolog: Comparison with the Acarbose-Loaded Maltose-Binding Protein of Salmonella typhimurium. , Journal of Molecular Biology : jmb 397 (2010), p. 709-723
doi: 10.1016/j.jmb.2010.01.054

Sviridova, E.; Bumba, L.; Rezacova, P.; Prochazkova, K.; Kavan, D.; Bezouska, K.; Kuty, M.; Sebo, P.; Smatanova, I.K.: Crystallization and preliminary crystallographic characterization of the iron-regulated outer membrane lipoprotein FrpD from Neisseria meningitidis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 1119-1123
doi: 10.1107/S174430911003215X

Jakob, R.P.; Zierer, B.K.; Weininger, U.; Hofmann, S.D.; Lorenz, S.H.; Balbach, J.; Dobbek, H.; Schmid, F.X.: Elimination of a cis-Proline-Containing Loop and Turn Optimization Stabilizes a Protein and Accelerates its Folding. , Journal of Molecular Biology : jmb 399 (2010), p. 331 - 346
doi: 10.1016/j.jmb.2010.04.007

Ozga, M.; Dolot, R.; Janicka, M.; Kaczmarek, R.; Krakowiak, A.: Histidine Triad Nucleotide-binding Protein 1 (HINT-1) Phosphoramidase Transforms Nucleoside 5'-O-Phosphorothioates to Nucleoside 5'-O-Phosphates. , Journal of Biological Chemistry 285 (2010), p. 40809-40818
doi: 10.1074/jbc.M110.162065

Dauter, Z.; Jaskolski, M.; Wlodawer, A.: Impact of synchrotron radiation on macromolecular crystallography: a personal view. , Journal of Synchrotron Radiation 17 (2010), p. 433-444
doi: 10.1107/S0909049510011611

Schmidt, F.; Treiber, N.; Zocher, G.; Bjelic, S.; Steinmetz, M.O.; Kalbacher, H.; Stehle, T.; Dodt, G.: Insights into peroxisome function from the structure of PEX3 in complex with a soluble fragment of PEX19. , Journal of Biological Chemistry 285 (2010), p. 25410-25417
doi: 10.1074/jbc.M110.138503

Angelucci, F.; Dimastrogiovanni, D.; Boumis, G.; Brunori, M.; Miele, A.E.; Saccoccia, F.; Bellelli, A.: Mapping the Catalytic Cycle of Schistosoma mansoni Thioredoxin Glutathione Reductase by X-ray Crystallography. , Journal of Biological Chemistry 285 (2010), p. 32557-32567
doi: 10.1074/jbc.M110.141960

Rao, Y.; Ma, Q.; Vahedi-Faridi, A.; Sundborger, A.; Pechstein, A.; Puchkov, D.; Luo, L.; Shupliakov, O.; Saenger, W.; Haucke, V.: Molecular basis for SH3 domain regulation of F-Bar-mediated membrane deformation. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 107 (2010), p. 8213-8218
doi: 10.1073/pnas.1003478107

Sevvana, M.; Kassler, K.; Ahnström, J.; Weiler, S.; Dahlbäck, B.; Sticht, H.; Muller, Y.A.: Mouse Apom Displays an Unprecedented Seven-Stranded Lipocalin Fold: Folding Decoy or Alternative Native Fold? , Journal of Molecular Biology : jmb 404 (2010), p. 363-371
doi: 10.1016/j.jmb.2010.09.062

Baum, B.; Muley, L.; Smolinski, M.; Heine, A.; Hangauer, D.; Klebe, G.: Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry. , Journal of Molecular Biology : jmb 397 (2010), p. 1042 - 1054
doi: 10.1016/j.jmb.2010.02.007

Bhattacharya, Sarbani: Structural and functional studies of growth arrest and DNA-damage proteins. , Berlin, Freie Universität Berlin, Diss., 2010

König, Bettina: Structural and functional studies of the global transcription regulator KorA of plasmid RP4. , Berlin, Freie Universität Berlin, Diss., 2010

Schulz, E.C.; Schwarzer, D.; Frank, M.; Stummeyer, K.; Mühlenhoff, M.; Dickmanns, A.; Gerardy-Schahn, R.; Ficner, R.: Structural basis for the recognition and cleavage of polysialic acid by the bacteriophage K1F tailspike protein EndoNF. , Journal of Molecular Biology : jmb 397 (2010), p. 341-351
doi: 10.1016/j.jmb.2010.01.028

Schwefel, D.; Fröhlich, C.; Eichhorst, J.; Wiesner, B.; Behlke, J.; Aravind, L.; Daumke, O.: Structural basis of oligomerization in septin-like GTPase of immunity-associated protein 2 (GIMAP2). , Proceedings of the National Academy of Sciences of the United States of America : PNAS 107 (2010), p. 20299-20304
doi: 10.1073/pnas.1010322107

Gao, S.; von der Malsburg, A.; Paeschke, S.; Behlke, J.; Haller, O.; Kochs, G.; Daumke, O.: Structural basis of oligomerization in the stalk region of dynamin-like MxA. , Nature 465 (2010), p. 502-506
doi: 10.1038/nature08972

Siponen, M.I.; Wisniewska, M.; Lehtio, L.; Johansson, I.; Svensson, L.; Raszewski, G.; Nilsson, L.; Sigvardsson, M.; Berglund, H.: Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif. , Journal of Biological Chemistry 285 (2010), p. 25875-25879
doi: 10.1074/jbc.C110.150482

Welin, M.; Grossmann, J.G.; Flodin, S.; Nyman, T.; Stenmark, P.; Tresaugues, L.; Kotenyova, T.; Johansson, I.; Nordlund, P.; Lehtio, L.: Structural studies of tri-functional human GART. , Nucleic Acids Research 38 (2010), p. 7308-7319
doi: 10.1093/nar/gkq595

Geiger, Sebastian: Structure and function of RNA polymerase I subunits. , Dissertation, München, Ludwig-Maximilians-Universität, 2010

Hee, C.S.; Gao, S.; Loll, B.; Miller, M.M.; Uchanska-Ziegler, B.; Daumke, O.; Ziegler, A.: Structure of a Classical MHC Class I Molecule That Binds "Non-Classical" Ligands. , PLoS Biology 8 (2010), p. e1000557/1-12
doi: 10.1371/journal.pbio.1000557

Heinemann, I.U.; Schulz, C.; Schubert, W.D.; Heinz, D.W.; Wang, Y.G.; Kobayashi, Y.; Awa, Y.; Wachi, M.; Jahn, D.; Jahn, M.: Structure of the Heme Biosynthetic Pseudomonas Aeruginosa Porphobilinogen Synthase in Complex with the Antibiotic Alaremycin. , Antimicrobial Agents and Chemotherapy 54 (2010), p. 267-272
doi: 10.1128/AAC.00553-09

Raeder, I.L.U.; Moe, E.; Willassen, N.P.; Smalas, A.O.; Leiros, I.: Structure of uracil-DNA N-glycosylase (UNG) from Vibrio cholerae: mapping temperature adaptation through structural and mutational analysis. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 130-136
doi: 10.1107/S1744309109052063

Wedepohl, Stefanie: Struktur und Funktion des Adhäsionsrezeptors L-Selektin. , Berlin, Freie Universität Berlin, Diss., 2010

Schönfeld, Dorian Leo: Strukturbiologische Untersuchungen an humanen Lipocalinen und deren Varianten mit neuartigen Bindespezifitäten. , München, Technische Universität München, Diss., 2010

Arent, S.; Pye, V.E.; Christen, C.E.; Norgaard, A.; Henriksen, A.: The Multi-Functional Protein in Peroxisomal β-Oxidation : Structure and Substrate Specificity of the Arabidopsis Thaliana Protein MFP2. , Journal of Biological Chemistry 285 (2010), p. 24066 - 24077
doi: 10.1074/jbc.M110.106005

Moskaleva, O.; Melnik, B.; Gabdulkhakov, A.; Garber, M.; Nikonov, S.; Stolboushkina, E.; Nikulin, A.: The structures of mutant forms of Hfq from Pseudomonas aeruginosa reveal the importance of the conserved His57 for the protein hexamer organization. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 66 (2010), p. 760-764
doi: 10.1107/S1744309110017331

Hänzelmann, P.; Stingele, J.; Hofmann, K.; Schindelin, H.; Raasi, S.: The Yeast E4 Ubiquitin Ligase Ufd2 Interacts with the Ubiquitin-like Domains of Rad23 and Dsk2 via a Novel and Distinct Ubiquitin-like Binding Domain. , Journal of Biological Chemistry 285 (2010), p. 20390-20398
doi: 10.1074/jbc.M110.112532

Kyomuhendo, P.; Myrnes, B.; Brandsdal, B.-O.; Smalas, A.O.; Nilsen, I.W.; Helland, R.: Thermodynamics and structure of a salmon cold active goose-type lysozyme. , Comparative Biochemistry and Physiology B 156 (2010), p. 254 - 263
doi: 10.1016/j.cbpb.2010.04.002

Faust, A.; Puehringer, S.; Darowski, N.; Panjikar, S.; Diederichs, K.; Mueller, U.; Weiss, M.S.: Update on the tutorial for learning and teaching macromolecular crystallography. , Journal of Applied Crystallography 43 (2010), p. 1230-1237
doi: 10.1107/S0021889810028189

2009

Oschlies, M.; Dickmanns, A.; Haselhorst, T.; Schaper, W.; Stummeyer, K.; Tiralongo, J.; Weinhold, B.; Gerardy-Schahn, R.; von Itzstein, M.; Ficner, R.; Münster-Kühnel, A.K.: A C-terminal phosphatase module conserved in vertebrate CMP-sialic acid synthetases provides a tetramerization interface for the physiologically active enzyme. , Journal of Molecular Biology : jmb 393 (2009), p. 83-97
doi: 10.1016/j.jmb.2009.08.003

Ritschel, T.; Atmanene, C.; Reuter, K.; Van Dorsselaer, A.; Sanglier-Cianferani, S.; Klebe, G.: An Integrative Approach Combining Noncovalent Mass Spectrometry, Enzyme Kinetics and X-ray Crystallography to Decipher Tgt Protein-Protein and Protein-RNA Interaction. , Journal of Molecular Biology : jmb 393 (2009), p. 833-847
doi: 10.1016/j.jmb.2009.07.040

Kumar, P.; Vahedi-Faridi, A.; Saenger, W.; Ziegler, A.; Uchanska-Ziegler, B.: Conformational changes within the HLA-A1:MAGE-A1 complex induced by binding of a recombinant antibody fragment with TCR-like specificity. , Protein Science 18 (2009), p. 37-49
doi: 10.1002/pro.4

König, B.; Müller, J.J.; Lanka, E.; Heinemann, U.: Crystal Structure of Kora Bound to Operator DNA: Insight Into Repressor Cooperation in Rp4 Gene Regulation. , Nucleic Acids Research 37 (2009), p. 1915–1924
doi: 10.1093/nar/gkp044

Francuski, D.; Saenger, W.: Crystal structure of the antitoxin-toxin protein complex RelB-RelE from Methanococcus jannaschii. , Journal of Molecular Biology : jmb 393 (2009), p. 898-908
doi: 10.1016/j.jmb.2009.08.048

Sokolowska, M.; Czapinska, H.; Bochtler, M.: Crystal structure of the bba-Me type II restriction endonuclease Hpy99I with target DNA. , Nucleic Acids Research 37 (2009), p. 3799–3810
doi: 10.1093/nar/gkp228

Monecke, T.; Güttler, T.; Neumann, P.; Dickmanns, A.; Görlich, D.; Ficner, R.: Crystal Structure of the Nuclear Export Receptor CRM1 in Complex with Snurportin1 and RanGTP. , Science 324 (2009), p. 1087-1091
doi: 10.1126/science.1173388

Hänzelmann, P.; Dahl, J.U.; Kuper, J.; Urban, A.; Müller-Theissen, U.; Leimkühler, S.; Schindelin, H.: Crystal structure of YnjE from Escherichia coli, a sulfurtransferase with three rhodanese domains. , Protein Science 18 (2009), p. 2480-2491
doi: 10.1002/pro.260

Helland, R.; Larsen, R.L.; Finstad, S.; Kyomuhendo, P.; Larsen, A.N.: Crystal structures of g-type lysozyme from Atlantic cod shed new light on substrate binding and the catalytic mechanism. , Cellular and Molecular Lilfe Sciences 66 (2009), p. 2585-2598
doi: 10.1007/s00018-009-0063-x

Hasselt, K.; Sevvana, M.; Burkovski, A.; Muller, Y.A.: Crystallization and preliminary crystallographic analysis of the global nitrogen regulator AmtR from Corynebacterium glutamicum. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 65 (2009), p. 1123-1127
doi: 10.1107/S174430910903663X

Kim, H.J.; Eichinger, A.; Skerra, A.: High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2. , Journal of the American Chemical Society 131 (2009), p. 3565-3576
doi: 10.1021/ja806857r

Lingott, T.J.; Schleberger, C.; Gutierrez, J.M.; Merfort, I.: High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. , Biochemistry 48 (2009), p. 6166–6174
doi: 10.1021/bi9002315

Ritschel, T.; Kohler, P.C.; Neudert, G.; Heine, A.; Diederich, F.; Klebe, G.: How to Replace the Residual Solvation Shell of Polar Active Site Residues to Achieve Nanomolar Inhibition of tRNA-Guanine Transglycosylase. , ChemMedChem 4 (2009), p. 2012-2023
doi: 10.1002/cmdc.200900343

Spadiut, O.; Leitner, C.; Salaheddin, C.; Varga, B.; Vertessy, B.G.; Tan, T.C.; Divne, C.; Haltrich, D.: Improving thermostability and catalytic activity of pyranose 2-oxidase from Trametes multicolor by rational and semi-rational design. , FEBS Journal 276 (2009), p. 776-792
doi: 10.1111/j.1742-4658.2008.06823.x

Angelucci, F.; Sayed, A.A.; Williams, D.L.; Boumis, G.; Brunori, M.; Dimastrogiovanni, D.; Miele, A.E.; Pauly, F.; Bellelli, A.: Inhibition of Schistosoma mansoni Thioredoxin-glutathione Reductase by Auranofin : Structural and Kinetic Aspects. , Journal of Biological Chemistry 284 (2009), p. 28977-28985
doi: 10.1074/jbc.M109.020701

Lakomek, K.; Dickmanns, A.; Kettwig, M.; Urlaub, H.; Ficner, R.; Luebke, T.: Initial insight into the function of the lysosomal 66.3 kDa protein from mouse by means of X-ray crystallography. , BMC Structural Biology 9 (2009), p. 56/1-17
doi: 10.1186/1472-6807-9-56

Lunelli, M.; Lokareddy, R.K.; Zychlinsky, A.; Kolbe, M.: IpaB-IpgC interaction defines binding motif for type III secretion translocator. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 106 (2009), p. 9661-9666
doi: 10.1073/pnas.0812900106

Vivoli, M.; Angelucci, F.; Ilari, A.; Morea, V.; Angelaccio, S.; di Salvo, M.L.; Contestabile, R.: Role of a Conserved Active Site Cation-Π Interaction in Escherichia coli Serine Hydroxymethyltransferase. , Biochemistry 48 (2009), p. 12034-12046
doi: 10.1021/bi901568b

Sevvana, M.; Ahnström, J.; Egerer-Sieber, C.; Lange, H.A.; Dahlbäck, B.; Muller, Y.A.: Serendipitous Fatty Acid Binding Reveals the Structural Determinants for Ligand Recognition in Apolipoprotein M. , Journal of Molecular Biology : jmb 393 (2009), p. 920-936
doi: 10.1016/j.jmb.2009.08.071

Federici, L.; Lo Sterzo, C.; Pezzola, S.; Di Matteo, A.; Scaloni, F.; Federici, G.; Caccuri, A.M.: Structural Basis for the Binding of the Anticancer Compound 6-(7-Nitro-2,1,3-Benzoxadiazol-4-Ylthio)Hexanol to Human Glutathione S-Transferases. , Cancer Research 69 (2009), p. 8025-8034
doi: 10.1158/0008-5472.CAN-09-1314

Sun, Q.; Collins, R.; Huang, S.; Holmberg-Schiavone, L.; Anand, G.S.; Tan, C.-H.; van-den-Berg, S.; Deng, L.-W.; Moore, P.K.; Karlberg, T.; Sivaraman, J.: Structural Basis for the Inhibition Mechanism of Human Cystathionine γ-Lyase, an Enzyme Responsible for the Production of H₂S. , Journal of Biological Chemistry 284 (2009), p. 3076-3085
doi: 10.1074/jbc.M805459200

Klieber, M.A.; Scholz, O.; Lochner, S.; Gmeiner, P.; Hillen, W.; Müller, Y.A.: Structural origins for selectivity and specificity in an engineered bacterial repressor-inducer pair. , FEBS Journal 276 (2009), p. 5610-5621
doi: 10.1111/j.1742-4658.2009.07254.x

Dengl, S.; Mayer, A.; Sun, M.; Cramer, P.: Structure and in vivo requirement of the yeast Spt6 SH2 domain. , Journal of Molecular Biology : jmb 389 (2009), p. 211-225
doi: 10.1016/j.jmb.2009.04.016

Kolenko, P.; Skalova, T.; Vanek, O.; Stepankova, A.; Duskova, J.; Hasek, J.; Bezouska, K.; Dohnalek, J.: The high-resolution structure of the extracellular domain of human CD69 using a novel polymer. , Acta Crystallographica Section F - Structural Biology and Crystallization Communications 65 (2009), p. 1258-1260
doi: 10.1107/S1744309109043152

Helland, R.; Larsen, R.L.; Asgeirsson, B.: The 1.4 A crystal structure of the large and cold-active Vibrio sp. alkaline phosphatase. , Biochimica et Biophysica Acta - Proteins and Proteomics 1794 (2009), p. 297-308
doi: 10.1016/j.bbapap.2008.09.020

Baum, B.; Muley, L.; Heine, A.; Smolinski, M.; Hangauer, D.; Klebe, G.: Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. , Journal of Molecular Biology : jmb 391 (2009), p. 552-564
doi: 10.1016/j.jmb.2009.06.016

2008

Helland, R.; Fjellbirkeland, A.; Karlsen, O.A.; Ve, T.; Lillehaug, J.R.; Jensen, H.B.: An Oxidized Tryptophan Facilitates Copper Binding in Methylococcus Capsulatus-Secreted Protein Mope. , Journal of Biological Chemistry 283 (2008), p. 13897-13904
doi: 10.1074/jbc.M800340200

Hoffmann, A.; Funkner, A.; Neumann, P.; Juhnke, S.; Walther, M.; Schierhorn, A.; Weininger, U.; Balbach, J.; Reuter, G.; Stubbs, M.T.: Biophysical Characterization of Refolded Drosophila Spatzle, a Cystine Knot Protein, Reveals Distinct Properties of Three Isoforms. , Journal of Biological Chemistry 283 (2008), p. 32598-32609
doi: 10.1074/jbc.M801815200

Yonus, H.; Neumann, P.; Zimmermann, S.; May, J.J.; Marahiel, M.A.; Stubbs, M.T.: Crystal structure of DltA. Implications for the reaction mechanism of non-ribosomal peptide synthetase adenylation domains. , Journal of Biological Chemistry 283 (2008), p. 32484-32491
doi: 10.1074/jbc.M800557200

Scheerer, P.; Park, J.H.; Hildebrand, P.W.; Kim, Y.J.; Krauss, N.; Choe, H.-W.; Hofmann, K.P.; Ernst, O.P.: Crystal structure of opsin in its G-protein-interacting conformation. , Nature 455 (2008), p. 497-502
doi: 10.1038/nature07330

Vahedi-Faridi, A.; Eckey, V.; Scheffel, F.; Alings, C.; Landmesser, H.; Schneider, E.; Saenger, W.: Crystal structures and mutational analysis of the arginine-, lysine-, histidine-binding protein ArtJ from Geobacillus stearothermophilus. Implications for interactions of ArtJ with its cognate ATP-binding cassette transporter, Art(MP)2. , Journal of Molecular Biology : jmb 375 (2008), p. 448-459
doi: 10.1016/j.jmb.2007.10.049

Rossmann, M.; Schultz-Heienbrok, R.; Behlke, J.; Remmel, N.; Alings, C.; Sandhoff, K.; Saenger, W.; Maier, T.: Crystal structures of human saposins C and d: implications for lipid recognition and membrane interactions. , Structure 16 (2008), p. 809-817
doi: 10.1016/j.str.2008.02.016

Hillig, R.C.; Urlinger, S.; Fanghänel, J.; Brocks, B.; Haenel, C.; Stark, Y.; Sülzle, D.; Svergun, D.I.; Baesler, S.; Malawski, G.; Moosmayer, D.; Menrad, A.; Schirner, M.; Licha, K.: Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface. , Journal of Molecular Biology : jmb 377 (2008), p. 206-219
doi: 10.1016/j.jmb.2007.12.071

Kursula, P.; Kursula, I.; Massimi, M.; Song, Y.H.; Downer, J.; Stanley, W.A.; Witke, W.; Wilmanns, M.: High-Resolution Structural Analysis of Mammalian Profilin 2A Complex Formation with Two Physiological Ligands: The Formin Homology 1 Domain of Mdia1 and the Proline-Rich Domain of Vasp. , Journal of Molecular Biology : jmb 375 (2008), p. 270-290
doi: 10.1016/j.jmb.2007.10.050

Pratto, F.; Cicek, A.; Weihofen, W.A.; Lurz, R.; Saenger, W.; Alonso, J.C.: Streptococcus pyogenes pSM19035 requires dynamic assembly of ATP-bound ParA and ParB on parS DNA during plasmid segregation. , Nucleic Acids Research 36 (2008), p. 3676-3689
doi: 10.1093/nar/gkn170

Schulze, J.O.; Quedenau, C.; Roske, Y.; Adam, T.; Schüler, H.; Behlke, J.; Turnbull, A.P.; Sievert, V.; Scheich, C.; Mueller, U.; Heinemann, U.; Bussow, K.: Structural and Functional Characterization of Human Iba Proteins. , FEBS Journal 275 (2008), p. 4627-4640
doi: 10.1111/j.1742-4658.2008.06605.x

Neumann, P.; Weidner, A.; Pech, A.; Stubbs, M.T.; Tittmann, K.: Structural basis for membrane binding and catalytic activation of the peripheral membrane enzyme pyruvate oxidase from Escherichia coli. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 105 (2008), p. 17390-17395
doi: 10.1073/pnas.0805027105

Zebisch, M.; Sträter, N.: Structural insight into signal conversion and inactivation by NTPDase2 in purinergic signaling. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 105 (2008), p. 6882-6887
doi: 10.1073/pnas.0802535105

Kotzsch, A.; Nickel, J.; Seher, A.; Heinecke, K.; van Geersdaele, L.; Herrmann, T.; Sebald, W.; Mueller, T.D.: Structure analysis of bone morphogenetic protein-2 type I receptor complexes reveals a mechanism of receptor inactivation in juvenile polyposis syndrome. , Journal of Biological Chemistry 283 (2008), p. 5876-5887
doi: 10.1074/jbc.M706029200

Karlberg, T.; Collins, R.; van den Berg, S.; Flores, A.; Hammarstrom, M.; Hogbom, M.; Holmberg Schiavone, L.; Uppenberg, J.: Structure of human argininosuccinate synthetase. , Acta Crystallographica Section D - Biological Crystallography 64 (2008), p. 279-286
doi: 10.1107/S0907444907067455

Beich-Frandsen, M.; Pickering, D.S.; Mirza, O.; Johansen, T.N.; Greenwood, J.; Vestergaard, B.; Schousboe, A.; Gajhede, M.; Liljefors, T.; Kastrup, J.S.: Structures of the ligand-binding core of iGluR2 in complex with the agonists (R)- and (S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propionic acid explain their unusual equipotency. , Journal of Medicinal Chemistry 51 (2008), p. 1459-1463
doi: 10.1021/jm701126w

Chatwell, L.; Holla, A.; Kaufer, B.B.; Skerra, A.: The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site. , Molecular Immunology 45 (2008), p. 1981-1994
doi: 10.1016/j.molimm.2007.10.030

Tresaugues, L.; Stenmark, P.; Schüler, H.; Flodin, S.; Welin, M.; Nyman, T.; Hammarström, M.; Moche, M.; Gräslund, S.; Nordlund, P.: The Crystal Structure of Human Cleavage and Polyadenylation Specific Factor-5 Reveals a Dimeric Nudix Protein with a Conserved Catalytic Site. , Proteins - Structure, Function and Bioinformatics 73 (2008), p. 1047-1052
doi: 10.1002/prot.22198

Thorn, A.; Egerer-Sieber, C.; Jäger, C.; Herl, V.; Müller-Uri, F.; Kreis, W.; Muller, Y.A.: The Crystal Structure of Progesterone 5{Beta}-Reductase from Digitalis Lanata Defines a Novel Class of Short Chain Dehydrogenases/Reductases. , Journal of Biological Chemistry 283 (2008), p. 17260-17269
doi: 10.1074/jbc.M706185200

Nyman, T.; Stenmark, P.; Flodin, S.; Johansson, I.; Hammarstrom, M.; Nordlund, P.: The Crystal Structure of the Human Toll-Like Receptor 10 Cytoplasmic Domain Reveals a Putative Signaling Dimer. , Journal of Biological Chemistry 283 (2008), p. 11861-11865
doi: 10.1074/jbc.C800001200

Gurmu, D.; Lu, J.; Johnson, K.A.; Nordlund, P.; Holmgren, A.; Erlandsen, H.: The Crystal Structure of the Protein Yhak from Escherichia Coli Reveals a New Subclass of Redox Sensitive Enterobacterial Bicupins. , Proteins - Structure, Function and Bioinformatics 74 (2008), p. 18-31
doi: 10.1002/prot.22128

Ilari, A.; Bonamore, A.; Franceschini, S.; Fiorillo, A.; Boffi, A.; Colotti, G.: The X-Ray Structure of N-Methyltryptophan Oxidase Reveals the Structural Determinants of Substrate Specificity. , Proteins - Structure, Function and Bioinformatics 71 (2008), p. 2065-2075
doi: 10.1002/prot.21898

Schönfeld, D.L.; Ravelli, R.B.; Mueller, U.; Skerra, A.: The 1.8-A crystal structure of alpha1-acid glycoprotein (Orosomucoid) solved by UV RIP reveals the broad drug-binding activity of this human plasma lipocalin. , Journal of Molecular Biology : jmb 384 (2008), p. 393-405
doi: 10.1016/j.jmb.2008.09.020

Lehtiö, L.; Collins, R.; van den Berg, S.; Johansson, A.; Dahlgren, L.G.; Hammarstrom, M.; Helleday, T.; Holmberg-Schiavone, L.; Karlberg, T.; Weigelt, J.: Zinc binding catalytic domain of human tankyrase 1. , Journal of Molecular Biology : jmb 379 (2008), p. 136-145
doi: 10.1016/j.jmb.2008.03.058

2007

Ebersbach, H.; Fiedler, E.; Scheuermann, T.; Fiedler, M.; Stubbs, M.T.; Reimann, C.; Proetzel, G.; Rudolph, R.; Fiedler, U.: Affilin-Novel Binding Molecules Based on Human Gamma-B-Crystallin, an All Beta-Sheet Protein. , Journal of Molecular Biology : jmb 372 (2007), p. 172-185
doi: 10.1016/j.jmb.2007.06.045

Max, K.E.; Zeeb, M.; Bienert, R.; Balbach, J.; Heinemann, U.: Common mode of DNA binding to cold shock domains : crystal structure of hexathymidine bound to the domain-swapped form of a major cold shock protein from Bacillus caldolyticus. , FEBS Journal 274 (2007), p. 1265-1279
doi: 10.1111/j.1742-4658.2007.05672.x

Klieber, M.A.; Underhill, C.; Hammond, G.L.; Muller, Y.A.: Corticosteroid-Binding Globulin: Structural Basis for Steroid Transport and Proteinase-Triggered Release. , Journal of Biological Chemistry 282 (2007), p. 29594-29603
doi: 10.1074/jbc.M705014200

Stenmark, P.; Kursula, P.; Flodin, S.; Gräslund, S.; Landry, R.; Nordlund, P.; Schüler, H.: Crystal Structure of Human Inosine Triphosphatase : Substrate Binding and Implication of the Inosine Triphosphatase Deficiency Mutation P32T. , Journal of Biological Chemistry 282 (2007), p. 3182-3187
doi: 10.1074/jbc.M609838200

Hagelueken, G.; Wiehlmann, L.; Adams, T.M.; Kolmar, H.; Heinz, D.W.; Tümmler, B.; Schubert, W.-D.: Crystal Structure of the Electron Transfer Complex Rubredoxin - Rubredoxin Reductase from Pseudomonas Aeruginosa. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 104 (2007), p. 12276-12281
doi: 10.1073/pnas.0702919104

Wollert, T.; Pasche, B.; Rochon, M.; Deppenmeier, S.; van den Heuvel, J.; Gruber, A.D.; Heinz, D.W.; Lengeling, A.; Schubert, W.D.: Extending the host range of Listeria monocytogenes by rational protein design. , Cell 129 (2007), p. 891-902
doi: 10.1016/j.cell.2007.03.049

Luckner, S.R.; Klotzsche, M.; Berens, C.; Hillen, W.; Muller, Y.A.: How an agonist peptide mimics the antibiotic tetracycline to induce Tet-repressor. , Journal of Molecular Biology : jmb 368 (2007), p. 780-790
doi: 10.1016/j.jmb.2007.02.030

Naur, P.; Hansen, K.B.; Kristensen, A.S.; Dravid, S.M.; Pickering, D.S.; Olsen, L.; Vestergaard, B.; Egebjerg, J.; Gajhede, M.; Traynelis, S.F.; Kastrup, J.S.: Ionotropic Glutamate-Like Receptor {Delta}2 Binds D-Serine and Glycine. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 104 (2007), p. 14116-14121
doi: 10.1073/pnas.0703718104

Gerlach, C.; Munzel, M.; Baum, B.; Gerber, H.-D.; Craan, T.; Diederich, W.E.; Klebe, G.: KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding. , Angewandte Chemie - International Edition 46 (2007), p. 9105-9109
doi: 10.1002/anie.200703323

Wunderlich, M.; Max, K.E.; Roske, Y.; Mueller, U.; Heinemann, U.; Schmid, F.X.: Optimization of the gbeta1 domain by computational design and by in vitro evolution: structural and energetic basis of stabilization. , Journal of Molecular Biology : jmb 373 (2007), p. 775-784
doi: 10.1016/j.jmb.2007.08.004

Max, K.E.; Wunderlich, M.; Roske, Y.; Schmid, F.X.; Heinemann, U.: Optimized variants of the cold shock protein from in vitro selection: structural basis of their high thermostability. , Journal of Molecular Biology : jmb 369 (2007), p. 1087-1097
doi: 10.1016/j.jmb.2007.04.016

Scheerer, P.; Borchert, A.; Krauss, N.; Wessner, H.; Gerth, C.; Höhne, W.; Kuhn, H.: Structural basis for catalytic activity and enzyme polymerization of phospholipid hydroperoxide glutathione peroxidase-4 (GPx4). , Biochemistry 46 (2007), p. 9041-9049
doi: 10.1021/bi700840d

Leiros, I.; Nabong, M.P.; Grosvik, K.; Ringvoll, J.; Haugland, G.T.; Uldal, L.; Reite, K.; Olsbu, I.K.; Knaevelsrud, I.; Moe, E.; Andersen, O.A.; Birkeland, N.K.; Ruoff, P.; Klungland, A.; Bjelland, S.: Structural Basis for Enzymatic Excision of N1-Methyladenine and N3-Methylcytosine from DNA. , The EMBO Journal 26 (2007), p. 2206-2217
doi: 10.1038/sj.emboj.7601662

Schleberger, C.; Sachelaru, P.; Brandsch, R.; Schulz, G.E.: Structure and Action of a Cc Bond Cleaving Alpha/Beta-Hydrolase Involved in Nicotine Degration. , Journal of Molecular Biology : jmb 367 (2007), p. 409-418
doi: 10.1016/j.jmb.2006.12.068

Zocher, G.E.; Winkler, R.; Hertweck, C.; Schulz, G.E.: Structure and Action of the N-Oxygenase Aurf from Streptomyces Thioluteus. , Journal of Molecular Biology : jmb 373 (2007), p. 65-74
doi: 10.1016/j.jmb.2007.06.014

Di Fenza, A.; Heine, A.; Koert, U.; Klebe, G.: Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions. , ChemMedChem 2 (2007), p. 297-308
doi: 10.1002/cmdc.200600185

2006

Kraft, M.; Schleberger, C.; Weckesser, J.; Schulz, G.E.: Binding Structure of the Leucine Aminopeptidase Inhibitor Microginin Fr1. , FEBS Letters 580 (2006), p. 6943-6947
doi: 10.1016/j.febslet.2006.11.060

Eswaran, J.; von Kries, J.P.; Marsden, B.; Longman, E.; Debreczeni, J.E.; Ugochukwu, E.; Turnbull, A.; Lee, W.H.; Knapp, S.; Barr, A.J.: Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases. , Biochemical Journal 395 (2006), p. 483-491
doi: 10.1042/BJ20051931

Fischer, K.; Llamas, A.; Tejada-Jimenez, M.; Schrader, N.; Kuper, J.; Ataya, F.S.; Galvan, A.; Mendel, R.R.; Fernandez, E.; Schwarz, G.: Function and Structure of the Molybdenum Cofactor Carrier Protein from Chlamydomonas Reinhardtii. , Journal of Biological Chemistry 281 (2006), p. 30186-30194
doi: 10.1074/jbc.M603919200

Steuber, H.; Zentgraf, M.; Podjarny, A.; Heine, A.; Klebe, G.: High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group. , Journal of Molecular Biology : jmb 356 (2006), p. 45-56
doi: 10.1016/j.jmb.2005.10.067

Jensen, A.M.L.; Sorensen, T.L.-M.; Olesen, C.; Moller, J.V.; Nissen, P.: Modulatory and Catalytic Modes of ATP Binding by the Calcium Pump. , The EMBO Journal 25 (2006), p. 2305-2314
doi: 10.1038/sj.emboj.7601135

Frere, F.; Nentwich, M.; Gacond, S.; Heinz, D.W.; Neier, R.; Frankenberg-Dinkel, N.: Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors. , Biochemistry 45 (2006), p. 8243–8253
doi: 10.1021/bi052611f

Stanley, W.A.; Filipp, F.V.; Kursula, P.; Schuller, N.; Erdmann, R.; Schliebs, W.; Sattler, M.; Wilmanns, M.: Recognition of a Functional Peroxisome Type 1 Target by the Dynamic Import Receptor Pex5P. , Molecular Cell 24 (2006), p. 653-663
doi: 10.1016/j.molcel.2006.10.024

Cuesta-Seijo, J.A.; Weiss, M.S.; Sheldrick, G.M.: Serendipitous Sad Phasing of an Echinomycin-(Acgtacgt)2 Bisintercalation Complex. , Acta Crystallographica Section D - Biological Crystallography 62 (2006), p. 417-424
doi: 10.1107/S0907444906003763

Schleberger, C.; Hochmann, H.; Barth, H.; Aktories, K.; Schulz, G.E.: Structure and Action of the Binary C2 Toxin from Clostridium Botulinum. , Journal of Molecular Biology : jmb 364 (2006), p. 705-715
doi: 10.1016/j.jmb.2006.09.002

Grueninger, D.; Schulz, G.E.: Structure and Reaction Mechanism of L-Rhamnulose Kinase from Escherichia Coli. , Journal of Molecular Biology : jmb 359 (2006), p. 787-797
doi: 10.1016/j.jmb.2006.04.013

Dickmanns, A.; Ballschmiter, M.; Liebl, W.; Ficner, R.: Structure of the novel alpha-amylase AmyC from Thermotoga maritima. , Acta Crystallographica Section D - Biological Crystallography 62 (2006), p. 262-270
doi: 10.1107/S0907444905041363

Midtgaard, S.F.; Assenholt, J.; Jonstrup, A.T.; Van, L.B.; Jensen, T.H.; Brodersen, D.E.: Structure of the nuclear exosome component Rrp6p reveals an interplay between the active site and the HRDC domain. , Proceedings of the National Academy of Sciences of the United States of America : PNAS 103 (2006), p. 11898-11903
doi: 10.1073/pnas.0604731103

Weihofen, W.A.; Cicek, A.; Pratto, F.; Alonso, J.C.; Saenger, W.: Structures of Omega Repressors Bound to Direct and Inverted DNA Repeats Explain Modulation of Transcription. , Nucleic Acids Research 34 (2006), p. 1450–1458
doi: 10.1093/nar/gkl015

Kursula, P.; Schüler, H.; Flodin, S.; Nilsson-Ehle, P.; Ogg, D.J.; Savitsky, P.; Nordlund, P.; Stenmark, P.: Structures of the Hydrolase Domain of Human 10-Formyltetrahydrofolate Dehydrogenase and its Complex with a Substrate Analogue. , Acta Crystallographica Section D - Biological Crystallography 62 (2006), p. 1294-1299
doi: 10.1107/S0907444906026849

Sormo, C.G.; Leiros, I.; Brembu, T.; Winge, P.; Os, V.; Bones, A.M.: The Crystal Structure of Arabidopsis Thaliana Rac7/Rop9: The First Ras Superfamily Gtpase from the Plant Kingdom. , Phytochemistry 67 (2006), p. 2332-2340
doi: 10.1016/j.phytochem.2006.08.011

Fredslund, F.; Jenner, L.; Husted, L.B.; Nyborg, J.; Andersen, G.R.; Sottrup-Jensen, L.: The structure of bovine complement component 3 reveals the basis for thioester function. , Journal of Molecular Biology : jmb 361 (2006), p. 115-127
doi: 10.1016/j.jmb.2006.06.009

Max, K.E.; Zeeb, M.; Bienert, R.; Balbach, J.; Heinemann, U.: T-rich DNA single strands bind to a preformed site on the bacterial cold shock protein Bs-CspB. , Journal of Molecular Biology : jmb 360 (2006), p. 702-714
doi: 10.1016/j.jmb.2006.05.044

2005

Specker, E.; Boettcher, J.; Lilie, H.; Heine, A.; Schoop, A.; Muller, G.; Griebenow, N.; Klebe, G.: An Old Target Revisited: Two New Privileged Skeletons and an Unexpected Binding Mode For HIV-Protease Inhibitors. , Angewandte Chemie - International Edition 44 (2005), p. 3140-3144
doi: 10.1002/anie.200462643

Buttner, C.R.; Cornelis, G.R.; Heinz, D.W.; Niemann, H.H.: Crystal Structure of Yersinia Enterocolitica Type III Secretion Chaperone Syct. , Protein Science 14 (2005), p. 1993-2002
doi: 10.1110/ps.051474605

Astner, I.; Schulze, J.O.; Van Den Heuvel, J.J.; Jahn, D.; Schubert, W.-D.; Heinz, D.W.: Crystal Structure of 5-Aminolevulinate Synthase, the First Enzyme of Heme Biosynthesis, and its Link to Xlsa in Humans. , The EMBO Journal 24 (2005), p. 3166-3177
doi: 10.1038/sj.emboj.7600792

Joergensen, R.; Merrill, A.R.; Yates, S.P.; Marquez, V.E.; Schwan, A.L.; Boesen, T.; Andersen, G.R.: Exotoxin A-eEF2 complex structure indicates ADP ribosylation by ribosome mimicry. , Nature 436 (2005), p. 979-984
doi: 10.1038/nature03871

Huber, S.K.; Scheidig, A.J.: High Resolution Crystal Structures of Human Rab4A in its Active and Inactive Conformations. , FEBS Letters 579 (2005), p. 2821-2829
doi: 10.1016/j.febslet.2005.04.020

Strasser, A.; Dickmanns, A.; Lührmann, R.; Ficner, R.: Structural basis for m(3)G-cap-mediated nuclear import of spliceosomal UsnRNPs by snurportin1. , The EMBO Journal 24 (2005), p. 2235-2243
doi: 10.1038/sj.emboj.7600701

Wallden, K.; Ruzzenente, B.; Rinaldo-Matthis, A.; Bianchi, V.; Nordlund, P.: Structural basis for substrate specificity of the human mitochondrial deoxyribonucleotidase. , Structure 13 (2005), p. 1081-1088
doi: 10.1016/j.str.2005.04.023

Bunkoczi, G.; Vertesy, L.; Sheldrick, G.M.: Structure of the lipopeptide antibiotic tsushimycin. , Acta Crystallographica Section D - Biological Crystallography 61 (2005), p. 1160-1164
doi: 10.1107/S0907444905017270

Cuesta-Seijo, J.A.; Sheldrick, G.M.: Structures of Complexes between Echinomycin and Duplex DNA. , Acta Crystallographica Section D - Biological Crystallography 61 (2005), p. 442-448
doi: 10.1107/S090744490500137X

Bunkoczi, G.; Vertesy, L.; Sheldrick, G.M.: The Antiviral Antibiotic Feglymycin: First Direct Methods Solution of a 1000Plus Equal-Atom Structure. , Angewandte Chemie - International Edition 44 (2005), p. 1340-1342
doi: 10.1002/anie.200461933

Spreter, T.; Pech, M.; Beatrix, B.: The crystal structure of archaeal nascent polypeptide-associated complex (NAC) reveals a unique fold and the presence of a UBA domain. , Journal of Biological Chemistry 280 (2005), p. 15849-15854
doi: 10.1074/jbc.M500160200

Eiting, M.; Hagelueken, G.; Schubert, W.-D.; Heinz, D.W.: The Mutation G145S in Prfa, a Key Virulence Regulator of Listeria Monocytogenes, Increases DNA-Binding Affinity by Stabilizing the Hth Motif. , Molecular Microbiology 56 (2005), p. 433-446
doi: 10.1111/j.1365-2958.2005.04561.x

Kümmel, D.; Mueller, J.J.; Roske, Y.; Misselwitz, R.; Bussow, K.; Heinemann, U.: The Structure of the Trapp Subunit Tpc6 Suggests a Model for a Trapp Subcomplex. , EMBO Reports 6 (2005), p. 787-793
doi: 10.1038/sj.embor.7400463

2004

Vogeley, L.; Sineshchekov, O.A.; Trivedi, V.D.; Sasaki, J.; Spudich, J.L.; Luecke, H.: Anabaena sensory rhodopsin: a photochromic color sensor at 2.0 A. , Science 306 (2004), p. 1390-1393
doi: 10.1126/science.1103943

Stenmark, P.; Gurmu, D.; Nordlund, P.: Crystal Structure of CaiB, a Type-III CoA Transferase in Carnitine Metabolism. , Biochemistry 43 (2004), p. 13996-14003
doi: 10.1021/bi048481c

Weihofen, W.A.; Liu, J.; Reutter, W.; Saenger, W.; Fan, H.: Crystal structure of CD26/dipeptidyl-peptidase IV in complex with adenosine deaminase reveals a highly amphiphilic interface. , Journal of Biological Chemistry 279 (2004), p. 43330-43335
doi: 10.1074/jbc.M405001200

Qamra, R.; Mande, S.C.: Crystal Structure of the 65-Kilodalton Heat Shock Protein, Chaperonin 60.2, of Mycobacterium tuberculosis. , Journal of Bacteriology 186 (2004), p. 8105-8113
doi: 10.1128/JB.186.23.8105-8113.2004

Sorensen, T.L.-M.; Moller, J.V.; Nissen, P.: Phosphoryl transfer and calcium ion occlusion in the calcium pump. , Science 304 (2004), p. 1672-1675
doi: 10.1126/science.1099366

Crow, A.; Acheson, R.M.; Le Brun, N.E.; Oubrie, A.: Structural Basis of Redox-coupled Protein Substrate Selection by the Cytochrome c Biosynthesis Protein ResA. , Journal of Biological Chemistry 279 (2004), p. 23654-23660
doi: 10.1074/jbc.M402823200

Ericsson, U.B.; Nordlund, P.; Hallberg, B.M.: X-ray structure of tRNA pseudouridine synthase TruD reveals an inserted domain with a novel fold. , FEBS Letters 565 (2004), p. 59-64
doi: 10.1016/j.febslet.2004.03.085

2003

Layer, G.; Moser, J.; Heinz, D.W.; Jahn, D.; Schubert, W.-D.: Crystal Structure of Coproporphyrinogen III Oxidase Reveals Cofactor Geometry of Radical Sam Enzymes. , The EMBO Journal 22 (2003), p. 6214-6224
doi: 10.1093/emboj/cdg598

MX 14.1

MX 14.1

MX_BEAMLINE_14.1

Publications

The HZB in brief

Training and Vacancies