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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1WBG
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![BU of 1wbg by Molmil](/molmil-images/mine/1wbg) | Active site thrombin inhibitors | Descriptor: | 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE, DIMETHYL SULFOXIDE, HIRUGEN, ... | Authors: | Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H. | Deposit date: | 2004-11-01 | Release date: | 2005-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography J.Med.Chem., 48, 2005
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5EDM
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![BU of 5edm by Molmil](/molmil-images/mine/5edm) | Crystal structure of prothrombin deletion mutant residues 154-167 ( Form I ) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Pozzi, N, Chen, Z, Di Cera, E. | Deposit date: | 2015-10-21 | Release date: | 2016-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How the Linker Connecting the Two Kringles Influences Activation and Conformational Plasticity of Prothrombin. J.Biol.Chem., 291, 2016
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3EGK
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![BU of 3egk by Molmil](/molmil-images/mine/3egk) | KNOBLE Inhibitor | Descriptor: | Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ... | Authors: | Baum, B, Heine, A, Klebe, G, Muenzel, M. | Deposit date: | 2008-09-10 | Release date: | 2008-09-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | KNOBLE: a knowledge-based approach for the design and synthesis of readily accessible small-molecule chemical probes to test protein binding Angew.Chem.Int.Ed.Engl., 46, 2007
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2TCL
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![BU of 2tcl by Molmil](/molmil-images/mine/2tcl) | STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH AN INHIBITOR | Descriptor: | CALCIUM ION, FIBROBLAST COLLAGENASE, SAMARIUM (III) ION, ... | Authors: | Winkler, F.K, Borkakoti, N, D'Arcy, A. | Deposit date: | 1994-09-07 | Release date: | 1996-03-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the catalytic domain of human fibroblast collagenase complexed with an inhibitor. Nat.Struct.Biol., 1, 1994
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2HGT
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![BU of 2hgt by Molmil](/molmil-images/mine/2hgt) | |
2C93
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![BU of 2c93 by Molmil](/molmil-images/mine/2c93) | thrombin inhibitors | Descriptor: | DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE, ... | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | Deposit date: | 2005-12-09 | Release date: | 2006-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors J.Med.Chem., 49, 2006
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1ZGI
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![BU of 1zgi by Molmil](/molmil-images/mine/1zgi) | thrombin in complex with an oxazolopyridine inhibitor 21 | Descriptor: | (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE, Hirudin, Thrombin | Authors: | Deng, J.Z, McMasters, D.R, Rabbat, P.M, Williams, P.D, Coburn, C.A, Yan, Y, Kuo, L.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Strulovici, B, Vacca, J.P, Lyle, T.A, Burgey, C.S. | Deposit date: | 2005-04-21 | Release date: | 2005-09-27 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization. Bioorg.Med.Chem.Lett., 15, 2005
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3NXP
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![BU of 3nxp by Molmil](/molmil-images/mine/3nxp) | Crystal structure of human prethrombin-1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Chen, Z, Bush-Pelc, L.A, Di Cera, E. | Deposit date: | 2010-07-14 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of prethrombin-1. Proc.Natl.Acad.Sci.USA, 107, 2010
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4MLF
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![BU of 4mlf by Molmil](/molmil-images/mine/4mlf) | Crystal structure for the complex of thrombin mutant D102N and hirudin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hirudin variant-1, ... | Authors: | Vogt, A.D, Pozzi, N, Chen, Z, Di Cera, E. | Deposit date: | 2013-09-06 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Essential role of conformational selection in ligand binding. Biophys.Chem., 186C, 2014
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3SHI
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![BU of 3shi by Molmil](/molmil-images/mine/3shi) | Crystal structure of human MMP1 catalytic domain at 2.2 A resolution | Descriptor: | CALCIUM ION, Interstitial collagenase, ZINC ION | Authors: | Bertini, I, Calderone, V, Cerofolini, L, Fragai, M, Geraldes, C.F.G.C, Hermann, P, Luchinat, C, Parigi, G, Teixeira, J. | Deposit date: | 2011-06-16 | Release date: | 2011-09-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The catalytic domain of MMP-1 studied through tagged lanthanides. Febs Lett., 586, 2012
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1A61
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![BU of 1a61 by Molmil](/molmil-images/mine/1a61) | THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | Descriptor: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | Authors: | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | Deposit date: | 1998-03-05 | Release date: | 1998-06-17 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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1NU9
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![BU of 1nu9 by Molmil](/molmil-images/mine/1nu9) | Staphylocoagulase-Prethrombin-2 complex | Descriptor: | IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E. | Deposit date: | 2003-01-31 | Release date: | 2003-10-07 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation NATURE, 425, 2003
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3BEF
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![BU of 3bef by Molmil](/molmil-images/mine/3bef) | Crystal structure of thrombin bound to the extracellular fragment of PAR1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 1, Prothrombin | Authors: | Gandhi, P.S, Bah, A, Chen, Z, Mathews, F.S, Di Cera, E. | Deposit date: | 2007-11-17 | Release date: | 2008-01-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural identification of the pathway of long-range communication in an allosteric enzyme. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1JMO
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![BU of 1jmo by Molmil](/molmil-images/mine/1jmo) | Crystal Structure of the Heparin Cofactor II-S195A Thrombin Complex | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Baglin, T.P, Carrell, R.W, Esmon, C.T, Huntington, J.A. | Deposit date: | 2001-07-19 | Release date: | 2002-08-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of native and thrombin-complexed heparin cofactor II reveal a multistep allosteric mechanism. Proc.Natl.Acad.Sci.USA, 99, 2002
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1ZGV
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![BU of 1zgv by Molmil](/molmil-images/mine/1zgv) | Thrombin in complex with an oxazolopyridine inhibitor 2 | Descriptor: | Hirudin, N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2,7-DIAMINE, Thrombin | Authors: | Deng, J.Z, McMasters, D.R, Rabbat, P.M, Williams, P.D, Coburn, C.A, Yan, Y, Kuo, L.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Strulovici, B, Vacca, J.P, Lyle, T.A, Burgey, C.S. | Deposit date: | 2005-04-22 | Release date: | 2005-09-27 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization. Bioorg.Med.Chem.Lett., 15, 2005
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1NU7
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![BU of 1nu7 by Molmil](/molmil-images/mine/1nu7) | Staphylocoagulase-Thrombin Complex | Descriptor: | IMIDAZOLE, MERCURY (II) ION, N-(sulfanylacetyl)-D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | Authors: | Friedrich, R, Bode, W, Fuentes-Prior, P, Panizzi, P, Bock, P.E. | Deposit date: | 2003-01-31 | Release date: | 2003-10-07 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Staphylocoagulase is a prototype for the mechanism of cofactor-induced zymogen activation NATURE, 425, 2003
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1THS
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![BU of 1ths by Molmil](/molmil-images/mine/1ths) | STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), SYNTHETIC INHIBITOR | Authors: | Qiu, X, Yin, M, Padmanabhan, K.P, Krstenansky, J.L, Tulinsky, A. | Deposit date: | 1993-06-16 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor. J.Biol.Chem., 268, 1993
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2C8Y
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![BU of 2c8y by Molmil](/molmil-images/mine/2c8y) | thrombin inhibitors | Descriptor: | DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE, ... | Authors: | Howard, N, Abell, C, Blakemore, W, Carr, R, Chessari, G, Congreve, M, Howard, S, Jhoti, H, Murray, C.W, Seavers, L.C.A, van Montfort, R.L.M. | Deposit date: | 2005-12-08 | Release date: | 2006-07-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors J.Med.Chem., 49, 2006
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1TMT
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![BU of 1tmt by Molmil](/molmil-images/mine/1tmt) | |
1AWF
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![BU of 1awf by Molmil](/molmil-images/mine/1awf) | NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT | Descriptor: | ALPHA THROMBIN, HIRUGEN, R3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-12,16-DIHYDROXY-14-HYDROXYMETHYL-4,10,13-TRIMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID IDOPYRANOSYL ESTER | Authors: | Jhoti, H, Cleasby, A, Wonacott, A. | Deposit date: | 1997-10-02 | Release date: | 1998-10-28 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Novel natural product 5,5-trans-lactone inhibitors of human alpha-thrombin: mechanism of action and structural studies. Biochemistry, 37, 1998
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1QHR
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![BU of 1qhr by Molmil](/molmil-images/mine/1qhr) | NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS | Descriptor: | 6-(2-HYDROXY-CYCLOPENTYL)-7-OXO-HEPTANAMIDINE, ALPHA THROMBIN, HIRUGEN | Authors: | Jhoti, H, Cleasby, A, Reid, S, Thomas, P, Wonacott, A. | Deposit date: | 1999-05-26 | Release date: | 2000-05-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of thrombin complexed to a novel series of synthetic inhibitors containing a 5,5-trans-lactone template. Biochemistry, 38, 1999
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1QJ6
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![BU of 1qj6 by Molmil](/molmil-images/mine/1qj6) | Novel Covalent Active Site Thrombin Inhibitors | Descriptor: | 6-CARBAMIMIDOYL-2-[2-HYDROXY-5-(3-METHOXY-PHENYL)-INDAN-1-YL]-HEXANOIC ACID, HIRUGEN, THROMBIN | Authors: | Jhoti, H, Cleasby, A. | Deposit date: | 1999-06-22 | Release date: | 2000-06-22 | Last modified: | 2018-05-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of Thrombin Complexed to a Novel Series of Synthetic Inhibitors Containing a 5,5-Trans-Lactone Template Biochemistry, 38, 1999
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2ZF0
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![BU of 2zf0 by Molmil](/molmil-images/mine/2zf0) | Exploring Thrombin S1 Pocket | Descriptor: | D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G. | Deposit date: | 2007-12-18 | Release date: | 2008-11-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring Thrombin S1 pocket To be Published
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3SQH
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![BU of 3sqh by Molmil](/molmil-images/mine/3sqh) | |