2GDE
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![BU of 2gde by Molmil](/molmil-images/mine/2gde) | Thrombin in complex with inhibitor | 分子名称: | (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTAHYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE, Hirudin, SODIUM ION, ... | 著者 | Xue, Y. | 登録日 | 2006-03-16 | 公開日 | 2007-03-20 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Total synthesis and structural confirmation of chlorodysinosin A. J.Am.Chem.Soc., 128, 2006
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1IHS
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6ZUW
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![BU of 6zuw by Molmil](/molmil-images/mine/6zuw) | Crystal Structure of Thrombin in complex with compound40 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ... | 著者 | Schafer, M. | 登録日 | 2020-07-23 | 公開日 | 2020-08-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63, 2020
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1T4U
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![BU of 1t4u by Molmil](/molmil-images/mine/1t4u) | Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin | 分子名称: | 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER, Hirudin IIIA, Prothrombin | 著者 | Spurlino, J. | 登録日 | 2004-04-30 | 公開日 | 2005-03-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis BIOORG.MED.CHEM.LETT., 14, 2004
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1NT1
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![BU of 1nt1 by Molmil](/molmil-images/mine/1nt1) | thrombin in complex with selective macrocyclic inhibitor | 分子名称: | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE, Hirudin, thrombin | 著者 | Nantermet, P.G, Barrow, J.C, Newton, C.L, Pellicore, J.M, Young, M, Lewis, S.D, Lucas, B.J, Krueger, J.A, McMasters, D.R, Yan, Y, Kuo, L.C, Vacca, J.P, Selnick, H.G. | 登録日 | 2003-01-28 | 公開日 | 2003-09-02 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of potent and selective macrocyclic thrombin inhibitors Bioorg.Med.Chem.Lett., 13, 2003
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1G30
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![BU of 1g30 by Molmil](/molmil-images/mine/1g30) | THROMBIN INHIBITOR COMPLEX | 分子名称: | HIRUDIN IIB, PROTHROMBIN, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | 著者 | Nar, H. | 登録日 | 2000-10-23 | 公開日 | 2001-10-23 | 最終更新日 | 2018-10-03 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors. Structure, 9, 2001
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1RIW
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![BU of 1riw by Molmil](/molmil-images/mine/1riw) | Thrombin in complex with natural product inhibitor Oscillarin | 分子名称: | (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin IIB, ... | 著者 | Hanessian, S, Tremblay, M, Petersen, J.F.W. | 登録日 | 2003-11-18 | 公開日 | 2004-11-09 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin J.Am.Chem.Soc., 126, 2004
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1AIX
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![BU of 1aix by Molmil](/molmil-images/mine/1aix) | HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL | 分子名称: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | 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 | 1997-04-30 | 公開日 | 1997-10-15 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 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
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1IHT
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1C4U
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![BU of 1c4u by Molmil](/molmil-images/mine/1c4u) | SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES. | 分子名称: | 2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, PROTEIN (HIRUGEN), SODIUM ION, ... | 著者 | Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A. | 登録日 | 1999-09-25 | 公開日 | 2000-09-27 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
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1KTT
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![BU of 1ktt by Molmil](/molmil-images/mine/1ktt) | Thrombin inhibitor complex | 分子名称: | 4-(5-BENZENESULFONYLAMINO-1-METHYL-1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE, hirudin IIB, thrombin | 著者 | Nar, H. | 登録日 | 2002-01-17 | 公開日 | 2002-02-06 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure-based design of novel potent nonpeptide thrombin inhibitors. J.Med.Chem., 45, 2002
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2R2M
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![BU of 2r2m by Molmil](/molmil-images/mine/2r2m) | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors | 分子名称: | Hirudin-3A, N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | 著者 | Spurlino, J. | 登録日 | 2007-08-27 | 公開日 | 2008-08-26 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors Bioorg.Med.Chem.Lett., 17, 2007
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3C27
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![BU of 3c27 by Molmil](/molmil-images/mine/3c27) | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors | 分子名称: | Hirudin-3A, N-[2-(carbamimidamidooxy)ethyl]-2-{6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ... | 著者 | Spurlino, J.C, McMillan, M, Lewandowski, F, Milligan, C. | 登録日 | 2008-01-24 | 公開日 | 2009-02-17 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.182 Å) | 主引用文献 | Cyanofluorophenylacetamides as Orally Efficacious Thrombin Inhibitors To be Published
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2HGT
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1TMT
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![BU of 1tmt by Molmil](/molmil-images/mine/1tmt) | |
1HGT
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2JH6
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![BU of 2jh6 by Molmil](/molmil-images/mine/2jh6) | Human Thrombin Hirugen Inhibitor complex | 分子名称: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, HIRUDIN IIIA, ... | 著者 | Senger, S, Chan, C, Convery, M.A, Hubbard, J.A, Young, R.J, Shah, G.P, Watson, N.S. | 登録日 | 2007-02-20 | 公開日 | 2007-05-08 | 最終更新日 | 2013-08-07 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Sulfonamide-Related Conformational Effects and Their Importance in Structure-Based Design. Bioorg.Med.Chem.Lett., 17, 2007
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1TA2
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![BU of 1ta2 by Molmil](/molmil-images/mine/1ta2) | Crystal structure of thrombin in complex with compound 1 | 分子名称: | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-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 (2.3 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
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1ABI
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1FPC
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![BU of 1fpc by Molmil](/molmil-images/mine/1fpc) | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | 分子名称: | Hirudin, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium, thrombin | 著者 | Tulinsky, A, Mathews, I.I. | 登録日 | 1994-10-16 | 公開日 | 1995-02-27 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Active-site mimetic inhibition of thrombin. Acta Crystallogr.,Sect.D, 51, 1995
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1XM1
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![BU of 1xm1 by Molmil](/molmil-images/mine/1xm1) | Nonbasic Thrombin Inhibitor Complex | 分子名称: | Hirudin, N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE, thrombin | 著者 | Friedrich, R, Bode, W, Schwienhorst, A. | 登録日 | 2004-10-01 | 公開日 | 2005-05-10 | 最終更新日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Nonbasic Thrombin Inhibitor Complex To be Published
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1NY2
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![BU of 1ny2 by Molmil](/molmil-images/mine/1ny2) | Human alpha thrombin inhibited by RPPGF and hirugen | 分子名称: | Hirugen, Inhibitor peptide RPPGF, thrombin Heavy chain, ... | 著者 | Krishnan, R, Tulinsky, A, Schmaier, A.H, Hasan, A.A, Warnock, M, Srikanth, S, Mahdi, F. | 登録日 | 2003-02-11 | 公開日 | 2003-03-04 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Mechanisms of Arg-Pro-Pro-Gly-Phe inhibition of thrombin. Am.J.Physiol.Heart Circ.Physiol., 285, 2003
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1HAH
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![BU of 1hah by Molmil](/molmil-images/mine/1hah) | THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | 著者 | Tulinsky, A, Vijayalakshmi, J. | 登録日 | 1994-06-27 | 公開日 | 1994-12-20 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin. Protein Sci., 3, 1994
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1D9I
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![BU of 1d9i by Molmil](/molmil-images/mine/1d9i) | STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTOPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 | 分子名称: | (5S)-N-[(trans-4-aminocyclohexyl)methyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, HIRUGEN, SODIUM ION, ... | 著者 | Krishnan, R, Mochalkin, I, Arni, R, Tulinsky, A. | 登録日 | 1999-10-27 | 公開日 | 2000-10-30 | 最終更新日 | 2017-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
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1TWX
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![BU of 1twx by Molmil](/molmil-images/mine/1twx) | Crystal structure of the thrombin mutant D221A/D222K | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, Prothrombin | 著者 | Pineda, A.O, Zhang, E, Guinto, E.R, Savvides, S.N, Tulinsky, A, Di Cera, E. | 登録日 | 2004-07-01 | 公開日 | 2005-04-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of the thrombin mutant D221A/D222K: the Asp222:Arg187 ion-pair stabilizes the fast form Biophys.Chem., 112, 2004
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