7APH
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![BU of 7aph by Molmil](/molmil-images/mine/7aph) | Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin. | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-10-16 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6NKT
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6NKY
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4HCN
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![BU of 4hcn by Molmil](/molmil-images/mine/4hcn) | Crystal structure of Burkholderia pseudomallei effector protein CHBP in complex with ubiquitin | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, PHOSPHATE ION, ... | Authors: | Yao, Q, Cui, J, Zhu, Y, Shao, F. | Deposit date: | 2012-09-30 | Release date: | 2012-11-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural mechanism of ubiquitin and NEDD8 deamidation catalyzed by bacterial effectors that induce macrophage-specific apoptosis. Proc.Natl.Acad.Sci.USA, 109, 2012
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4IFL
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![BU of 4ifl by Molmil](/molmil-images/mine/4ifl) | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes | Descriptor: | Nrf2 peptide, kelch-like ECH-associated protein 1 | Authors: | Pan, H, Lin, M, Yang, Y, Callaway, K, Baker, J, Diep, L, Yan, J, Tanaka, K, Zhu, Y.L, Konradi, A.W, Jobling, M, Tam, D, Ren, Z, Cheung, H, Bova, M, Riley, B.E, Yao, N, Artis, D.R. | Deposit date: | 2012-12-14 | Release date: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of apo Keap1, Keap1-peptide, and Keap1-compound complexes Acta Crystallogr.,Sect.D
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6NKV
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4IEA
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![BU of 4iea by Molmil](/molmil-images/mine/4iea) | |
4DTB
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4INK
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![BU of 4ink by Molmil](/molmil-images/mine/4ink) | Crystal structure of SplD protease from Staphylococcus aureus at 1.56 A resolution | Descriptor: | Serine protease SplD | Authors: | Zdzalik, M, Kalinska, M, Cichon, P, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
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4DXF
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![BU of 4dxf by Molmil](/molmil-images/mine/4dxf) | Crystal structure of Staphylococcal Superantigen-Like protein 4 | Descriptor: | CHLORIDE ION, GLYCEROL, Staphylococcal enterotoxin-like toxin | Authors: | Hermans, S.J, Baker, H.M, Langley, R.J, Baker, E.N, Fraser, J.F. | Deposit date: | 2012-02-27 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional properties of staphylococcal superantigen-like protein 4 Infect.Immun., 80, 2012
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4DHP
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![BU of 4dhp by Molmil](/molmil-images/mine/4dhp) | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ... | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | Deposit date: | 2012-01-30 | Release date: | 2013-07-31 | Last modified: | 2013-09-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions. Chem.Commun.(Camb.), 49, 2013
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4H6T
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![BU of 4h6t by Molmil](/molmil-images/mine/4h6t) | Crystal structure of prethrombin-2 mutant E14eA/D14lA/E18A/S195A | Descriptor: | PHOSPHATE ION, Prothrombin | Authors: | Pozzi, N, Chen, Z, Zapata, F, Pelc, L.A, Di Cera, E. | Deposit date: | 2012-09-19 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
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4DXG
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![BU of 4dxg by Molmil](/molmil-images/mine/4dxg) | Crystal structure of Staphylococcal Superantigen-Like protein 4 complexed with sialyl Lewis X | Descriptor: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), ... | Authors: | Hermans, S.J, Baker, H.M, Langley, R.J, Baker, E.N, Fraser, J.F. | Deposit date: | 2012-02-27 | Release date: | 2012-09-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and functional properties of staphylococcal superantigen-like protein 4 Infect.Immun., 80, 2012
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4H6S
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![BU of 4h6s by Molmil](/molmil-images/mine/4h6s) | Crystal structure of thrombin mutant E14eA/D14lA/E18A/S195A | Descriptor: | Prothrombin, SODIUM ION | Authors: | Pozzi, N, Chen, Z, Zapata, F, Pelc, L.A, Di Cera, E. | Deposit date: | 2012-09-19 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
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3TES
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![BU of 3tes by Molmil](/molmil-images/mine/3tes) | Crystal Structure of Tencon | Descriptor: | Tencon | Authors: | Luo, J, Jacobs, S, Teplyakov, A, Obmolova, G, O'Neil, K, Gilliland, G. | Deposit date: | 2011-08-15 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design of novel FN3 domains with high stability by a consensus sequence approach. Protein Eng.Des.Sel., 25, 2012
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3TA0
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![BU of 3ta0 by Molmil](/molmil-images/mine/3ta0) | A. fulgidus GlnK3, MgATP complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Nitrogen regulatory protein P-II (GlnB-3) | Authors: | Maier, S, Schleberger, P, Lue, W, Wacker, T, Pflueger, T, Litz, C, Andrade, S.L.A. | Deposit date: | 2011-08-03 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of disruption of the Amt-GlnK complex by P(II)-mediated sensing of 2-oxoglutarate. Plos One, 6, 2011
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6NVA
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4HFP
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![BU of 4hfp by Molmil](/molmil-images/mine/4hfp) | Structure of thrombin mutant S195a bound to the active site inhibitor argatroban | Descriptor: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid, Prothrombin, SODIUM ION | Authors: | Pozzi, N, Chen, Z, Zapata, F, Lin, W, Barranco-Medina, S, Pelc, L.A, Di Cera, E. | Deposit date: | 2012-10-05 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
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4E1I
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![BU of 4e1i by Molmil](/molmil-images/mine/4e1i) | Fragment of human prion protein | Descriptor: | Major prion protein | Authors: | Apostol, M.I, Surewicz, W.K. | Deposit date: | 2012-03-06 | Release date: | 2013-03-06 | Last modified: | 2013-11-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Crystal structure of a human prion protein fragment reveals a motif for oligomer formation. J.Am.Chem.Soc., 135, 2013
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4INL
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![BU of 4inl by Molmil](/molmil-images/mine/4inl) | Crystal structure of SplD protease from Staphylococcus aureus at 2.1 A resolution | Descriptor: | Serine protease SplD | Authors: | Cichon, P, Zdzalik, M, Kalinska, M, Wysocka, M, Stec-Niemczyk, J, Stennicke, H.R, Jabaiah, A, Markiewicz, M, Wladyka, B, Daugherty, P.S, Lesner, A, Rolka, K, Dubin, A, Potempa, J, Dubin, G. | Deposit date: | 2013-01-04 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and Structural Characterization of SplD Protease from Staphylococcus aureus. Plos One, 8, 2013
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3RJK
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![BU of 3rjk by Molmil](/molmil-images/mine/3rjk) | Ternary complex of DNA Polymerase Beta with a gapped DNA containing 8odG:dC base pair at primer terminus and dG:dCMP(CF2)PP in the active site | Descriptor: | 2'-deoxy-5'-O-[(S)-{difluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*(8OG)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | Deposit date: | 2011-04-15 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Binary complex crystal structure of DNA polymerase beta reveals multiple conformations of the templating 8-oxoguanine lesion. Proc.Natl.Acad.Sci.USA, 109, 2012
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4EQC
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![BU of 4eqc by Molmil](/molmil-images/mine/4eqc) | Crystal structure of PAK1 kinase domain in complex with FRAX597 inhibitor | Descriptor: | 6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, Serine/threonine-protein kinase PAK 1 | Authors: | Maksimoska, J, Marmorstein, R. | Deposit date: | 2012-04-18 | Release date: | 2013-08-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | FRAX597, a Small Molecule Inhibitor of the p21-activated Kinases, Inhibits Tumorigenesis of Neurofibromatosis Type 2 (NF2)-associated Schwannomas. J.Biol.Chem., 288, 2013
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4E83
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4E82
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4DJG
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