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PDB: 466 件
3C1K
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Crystal structure of thrombin in complex with inhibitor 15
分子名称: 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide, Hirugen, Prothrombin
著者Yan, Y.
登録日2008-01-23
公開日2008-03-18
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles.
Bioorg.Med.Chem.Lett., 18, 2008
2PW8
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Crystal structure of sulfo-hirudin complexed to thrombin
分子名称: Hirudin variant-1, NICKEL (II) ION, SODIUM ION, ...
著者Liu, C.C, Brustad, E, Liu, W, Schultz, P.G.
登録日2007-05-10
公開日2007-08-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal structure of a biosynthetic sulfo-hirudin complexed to thrombin.
J.Am.Chem.Soc., 129, 2007
4RKO
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Crystal structure of thrombin mutant S195T bound with PPACK
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ...
著者Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
登録日2014-10-13
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
1AI8
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HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH THE EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROMPG
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIB, ...
著者Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J.
登録日1997-05-01
公開日1997-10-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Protein Sci., 1, 1992
1YPL
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X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1008
分子名称: GLYCEROL, Hirudin, N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE, ...
著者Fokkens, J, Radau, G.
登録日2005-01-31
公開日2006-01-17
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and X-ray crystal structures of human thrombin with synthetic cyanopeptide-analogues.
Pharmazie, 62, 2007
1A3E
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COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BOROLOG2, ...
著者Skordalakes, E, Elgendy, S, Goodwin, C.A, Green, D, Scullly, M.F, Kakkar, V.V, Freyssinet, J.M, Dodson, G, Deadman, J.
登録日1998-01-21
公開日1998-06-03
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
1YPM
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X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1014
分子名称: Hirudin, N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE, Thrombin heavy chain, ...
著者Fokkens, J, Radau, G.
登録日2005-01-31
公開日2006-01-17
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and X-ray crystal structures of human thrombin with synthetic cyanopeptide-analogues.
Pharmazie, 62, 2007
3K65
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Crystal Structure of Prethombin-2/Fragment-2 Complex
分子名称: 1,4-BUTANEDIOL, Prothrombin
著者Adams, T.E, Huntington, J.A.
登録日2009-10-08
公開日2010-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural transitions during prothrombin activation: On the importance of fragment 2.
Biochimie, 122, 2016
1GHY
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, CALCIUM ION, ...
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1XMN
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Crystal structure of thrombin bound to heparin
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ...
著者Carter, W.J, Cama, E, Huntington, J.A.
登録日2004-10-04
公開日2004-11-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of thrombin bound to heparin
J.Biol.Chem., 280, 2005
2ZFR
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BU of 2zfr by Molmil
Exploring thrombin S3 pocket
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide, GLYCEROL, Hirudin, ...
著者Brandt, T, Baum, B, Heine, A, Klebe, G.
登録日2008-01-10
公開日2009-01-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Exploring thrombin S3 pocket
To be Published
1GHV
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
分子名称: 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
著者Katz, B.A, Elrod, K, Luong, C, Rice, M, Mackman, R.L, Sprengeler, P.A, Spencer, J, Hatayte, J, Janc, J, Link, J, Litvak, J, Rai, R, Rice, K, Sideris, S, Verner, E, Young, W.
登録日2001-01-22
公開日2002-01-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
5DO4
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BU of 5do4 by Molmil
Thrombin-RNA aptamer complex
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pallan, P.S, Egli, M.
登録日2015-09-10
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献Evoking picomolar binding in RNA by a single phosphorodithioate linkage.
Nucleic Acids Res., 44, 2016
1K21
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BU of 1k21 by Molmil
HUMAN THROMBIN-INHIBITOR COMPLEX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ...
著者Stubbs, M.T, Musil, D.
登録日2001-09-26
公開日2002-05-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
3U8T
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Human thrombin complexed with D-Phe-Pro-D-Arg-Cys
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B.
登録日2011-10-17
公開日2012-04-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.861 Å)
主引用文献Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
4BAO
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Thrombin in complex with inhibitor
分子名称: (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAN
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Thrombin in complex with inhibitor
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
2GP9
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Crystal structure of the slow form of thrombin in a self-inhibited conformation
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Prothrombin
著者Pineda, A, Chen, Z, Mathews, F.S, Di Cera, E.
登録日2006-04-17
公開日2006-09-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of thrombin in a self-inhibited conformation.
J.Biol.Chem., 281, 2006
4BAM
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Thrombin in complex with inhibitor
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BAQ
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Thrombin in complex with inhibitor
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
1VR1
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Specifity for Plasminogen Activator Inhibitor-1
分子名称: Hirudin, thrombin
著者Dekker, R.J, Eichinger, A, Stoop, A.A, Bode, W, Pannekoek, H, Horrevoets, A.J.G.
登録日1998-12-11
公開日1999-12-29
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The variable region-1 from tissue-type plasminogen activator confers specificity for plasminogen activator inhibitor-1 to thrombin by facilitating catalysis: release of a kinetic block by a heterologous protein surface loop
J.Mol.Biol., 293, 1999
4DT7
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Crystal structure of thrombin bound to the activation domain QEDQVDPRLIDGKMTRRGDS of protein C
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Pozzi, N, Barranco-Medina, S, Chen, Z, Di Cera, E.
登録日2012-02-20
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exposure of R169 controls protein C activation and autoactivation.
Blood, 120, 2012
1SB1
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Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics
分子名称: N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ...
著者Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D.
登録日2004-02-09
公開日2004-06-08
最終更新日2011-11-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics
Eur.J.Med.Chem., 39, 2004
1TA6
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Crystal structure of thrombin in complex with compound 14b
分子名称: 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE, Hirudin, thrombin
著者Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P.
登録日2004-05-19
公開日2004-06-08
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and synthesis of a series of potent and orally bioavailable noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position
J.Med.Chem., 41, 1998
1NO9
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Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha Thrombin, N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE, ...
著者De Simone, G, Menchise, V, Omaggio, S, Pedone, C, Scozzafava, A, Supuran, C.T.
登録日2003-01-16
公開日2003-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献DESIGN OF WEAKLY BASIC THROMBIN INHIBITORS INCORPORATING NOVEL P1 BINDING FUNCTIONS: MOLECULAR AND X-RAY CRYSTALLOGRAPHIC STUDIES
Biochemistry, 42, 2003

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