3CEN
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3E16
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![BU of 3e16 by Molmil](/molmil-images/mine/3e16) | X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Prostasin, ... | Authors: | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | Deposit date: | 2008-08-01 | Release date: | 2008-09-09 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg.Med.Chem.Lett., 18, 2008
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3B23
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![BU of 3b23 by Molmil](/molmil-images/mine/3b23) | Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors | Descriptor: | Thrombin heavy chain, Thrombin light chain, Variegin | Authors: | Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M. | Deposit date: | 2011-07-20 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors Plos One, 6, 2011
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3ENS
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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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3EE0
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![BU of 3ee0 by Molmil](/molmil-images/mine/3ee0) | Crystal Structure of the W215A/E217A Mutant of Human Thrombin (space group P2(1)2(1)2(1)) | Descriptor: | Thrombin heavy chain, Thrombin light chain | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. | Deposit date: | 2008-09-03 | Release date: | 2009-07-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Molecular Basis for the Kinetic Differences of the W215A/E217A Mutant of Human and Murine Thrombin To be Published
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3EDX
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![BU of 3edx by Molmil](/molmil-images/mine/3edx) | Crystal structure of the W215A/E217A mutant of murine thrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Thrombin heavy chain, ... | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-pelc, L, Di Cera, E. | Deposit date: | 2008-09-03 | Release date: | 2009-07-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular Basis for the Kinetic Differences of the W215A/E217A Mutant of Human and Murine Thrombin To be Published
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3DD2
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![BU of 3dd2 by Molmil](/molmil-images/mine/3dd2) | Crystal structure of an RNA aptamer bound to human thrombin | Descriptor: | ACETIC ACID, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, DI(HYDROXYETHYL)ETHER, ... | Authors: | Long, S.B, Sullenger, B.A. | Deposit date: | 2008-06-04 | Release date: | 2008-11-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of an RNA aptamer bound to thrombin. Rna, 14, 2008
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3DT0
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![BU of 3dt0 by Molmil](/molmil-images/mine/3dt0) | Understanding Thrombin Inhibition | Descriptor: | Hirudin variant-1, N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-07-14 | Release date: | 2009-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Understanding Thrombin Inhibition To be Published
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3E6P
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![BU of 3e6p by Molmil](/molmil-images/mine/3e6p) | Crystal structure of human meizothrombin desF1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE, Prothrombin, ... | Authors: | Papaconstantinou, M.E, Gandhi, P, Chen, Z, Bah, A, Di Cera, E. | Deposit date: | 2008-08-15 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Na(+) binding to meizothrombin desF1. Cell.Mol.Life Sci., 65, 2008
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3BN9
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![BU of 3bn9 by Molmil](/molmil-images/mine/3bn9) | Crystal Structure of MT-SP1 in complex with Fab Inhibitor E2 | Descriptor: | 1,2-ETHANEDIOL, E2 Fab Heavy Chain, E2 Fab Light Chain, ... | Authors: | Farady, C.J, Schneider, E.L, Egea, P.F, Goetz, D.H, Craik, C.S. | Deposit date: | 2007-12-13 | Release date: | 2008-09-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.173 Å) | Cite: | Structure of an Fab-protease complex reveals a highly specific non-canonical mechanism of inhibition J.Mol.Biol., 380, 2008
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1YPK
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![BU of 1ypk by Molmil](/molmil-images/mine/1ypk) | Thrombin Inhibitor Complex | Descriptor: | 10-mer peptide from Acety-Hirudin(54-65) sulfated, Prothrombin heavy chain, Prothrombin light chain, ... | Authors: | Czodrowski, P, Sotriffer, C, Fokkens, J, Heine, A, Klebe, G. | Deposit date: | 2005-01-31 | Release date: | 2006-01-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A Simple Protocol To Estimate Differences in Protein Binding Affinity for Enantiomers without Prior Resolution of Racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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3DUX
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![BU of 3dux by Molmil](/molmil-images/mine/3dux) | Understanding Thrombin Inhibition | Descriptor: | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-07-18 | Release date: | 2009-06-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin J.Mol.Biol., 391, 2009
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3EQ0
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![BU of 3eq0 by Molmil](/molmil-images/mine/3eq0) | Thrombin Inhibitor | Descriptor: | (2S)-N-[[2-(aminomethyl)-5-chloro-phenyl]methyl]-1-[(2R)-5-carbamimidamido-2-(phenylmethylsulfonylamino)pentanoyl]pyrrolidine-2-carboxamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G, Steinmetzer, T. | Deposit date: | 2008-09-30 | Release date: | 2009-08-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Thrombin Inhibition To be Published
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3ELA
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![BU of 3ela by Molmil](/molmil-images/mine/3ela) | Crystal structure of active site inhibited coagulation factor VIIA mutant in complex with soluble tissue factor | Descriptor: | CALCIUM ION, Coagulation factor VIIA heavy chain, Coagulation factor VIIA light chain, ... | Authors: | Bjelke, J.R, Fodje, M, Svensson, L.A. | Deposit date: | 2008-09-21 | Release date: | 2008-11-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mechanism of the Ca2+-induced enhancement of the intrinsic factor VIIa activity J.Biol.Chem., 283, 2008
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3SBK
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![BU of 3sbk by Molmil](/molmil-images/mine/3sbk) | Russell's viper venom serine proteinase, RVV-V (PPACK-bound form) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Vipera russelli proteinase RVV-V gamma | Authors: | Nakayama, D, Ben Ammar, Y, Takeda, S. | Deposit date: | 2011-06-05 | Release date: | 2011-09-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural basis of coagulation factor V recognition for cleavage by RVV-V Febs Lett., 585, 2011
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3S9B
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3S9C
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![BU of 3s9c by Molmil](/molmil-images/mine/3s9c) | Russell's viper venom serine proteinase, RVV-V in complex with the fragment (residues 1533-1546) of human factor V | Descriptor: | ACETATE ION, Coagulation factor V, Vipera russelli proteinase RVV-V gamma, ... | Authors: | Nakayama, D, Ben Ammar, Y, Takeda, S. | Deposit date: | 2011-06-01 | Release date: | 2011-09-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of coagulation factor V recognition for cleavage by RVV-V Febs Lett., 585, 2011
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6SKB
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![BU of 6skb by Molmil](/molmil-images/mine/6skb) | Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK3496783A | Descriptor: | 4-[(3~{R})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-08-15 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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6SJU
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6SHI
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6SKD
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![BU of 6skd by Molmil](/molmil-images/mine/6skd) | Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3397892A | Descriptor: | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide, GLYCEROL, Kallikrein-6, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-08-15 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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3LC3
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![BU of 3lc3 by Molmil](/molmil-images/mine/3lc3) | Benzothiophene Inhibitors of Factor IXa | Descriptor: | 1-[5-(3,4-dimethoxyphenyl)-1-benzothiophen-2-yl]methanediamine, CALCIUM ION, Coagulation factor IX | Authors: | Wang, S, Beck, R. | Deposit date: | 2010-01-09 | Release date: | 2010-02-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Studies of Benzothiophene Template as Potent Factor IXa (FIXa) Inhibitors in Thrombosis. J.Med.Chem., 53, 2010
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6VAM
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6TKL
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![BU of 6tkl by Molmil](/molmil-images/mine/6tkl) | Non-cleavable tsetse thrombin inhibitor in complex with human alpha-thrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | Deposit date: | 2019-11-28 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
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