1A46
 
 | | THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | | 分子名称: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | 著者 | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | | 登録日 | 1998-02-11 | | 公開日 | 1998-05-27 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
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1HUT
 | | THE STRUCTURE OF ALPHA-THROMBIN INHIBITED BY A 15-MER SINGLE-STRANDED DNA APTAMER | | 分子名称: | ALPHA-Thrombin heavy chain, ALPHA-Thrombin light chain, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, ... | | 著者 | Padmanabhan, K, Padmanabhan, K.P, Ferrara, J.D, Sadler, J.E, Tulinsky, A. | | 登録日 | 1993-05-27 | | 公開日 | 1994-06-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The structure of alpha-thrombin inhibited by a 15-mer single-stranded DNA aptamer.
J.Biol.Chem., 268, 1993
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1TMB
 | | MOLECULAR BASIS FOR THE INHIBITION OF HUMAN ALPHA-THROMBIN BY THE MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A | | 分子名称: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | | 著者 | Qiu, X, Padmanabhan, K.P, Maryanoff, B.E, Tulinsky, A. | | 登録日 | 1993-05-27 | | 公開日 | 1994-01-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A.
Proc.Natl.Acad.Sci.USA, 90, 1993
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1THS
 | | STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR | | 分子名称: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), SYNTHETIC INHIBITOR | | 著者 | Qiu, X, Yin, M, Padmanabhan, K.P, Krstenansky, J.L, Tulinsky, A. | | 登録日 | 1993-06-16 | | 公開日 | 1994-01-31 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor.
J.Biol.Chem., 268, 1993
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1HAO
 | | COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON NMR MODEL OF DNA) | | 分子名称: | ALPHA-THROMBIN heavy chain, ALPHA-THROMBIN light chain, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ... | | 著者 | Tulinsky, A, Padmanabhan, K. | | 登録日 | 1995-10-03 | | 公開日 | 1996-04-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
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1OOK
 | | Crystal Structure of the Complex of Platelet Receptor GPIb-alpha and Human alpha-Thrombin | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Human Alpha Thrombin, ... | | 著者 | Varughese, K.I, Celikel, R, Ruggeri, Z.M. | | 登録日 | 2003-03-03 | | 公開日 | 2003-07-22 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Modulation of alpha-thrombin function by distinct interactions with platelet
glycoprotein Ibalpha
Science, 301, 2003
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1IHS
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1IHT
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1XMN
 | | 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 | 2024-10-30 | | 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
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1HDT
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1B5G
 | | HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | | 分子名称: | ALPHA-THROMBIN, HIRUGEN, SODIUM ION, ... | | 著者 | St Charles, R, Tulinsky, A, Kahn, M. | | 登録日 | 1998-03-05 | | 公開日 | 1998-05-27 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
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4AYV
 | | Human thrombin - inhibitor complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', SODIUM ION, ... | | 著者 | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | | 登録日 | 2012-06-22 | | 公開日 | 2012-08-15 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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4AZ2
 | | Human thrombin - inhibitor complex | | 分子名称: | (R)-N-((S)-1-CARBAMIMIDOYL-PIPERIDIN-3-YLMETHYL)-2-(NAPHTHALENE-2-SULFONYLAMINO)-3-PHENYL-PROPIONAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | | 著者 | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | | 登録日 | 2012-06-22 | | 公開日 | 2012-08-15 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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4AYY
 | | Human thrombin - inhibitor complex | | 分子名称: | (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | | 著者 | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | | 登録日 | 2012-06-22 | | 公開日 | 2012-08-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
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1BMN
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1BMM
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1RDE
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6ZGO
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1BBR
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6T8A
 | | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | | 著者 | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | | 登録日 | 2019-10-24 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492)
to be published
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1MU8
 | | thrombin-hirugen_l-378,650 | | 分子名称: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | 著者 | Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J. | | 登録日 | 2002-09-23 | | 公開日 | 2004-04-06 | | 最終更新日 | 2021-07-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
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1MUE
 | | Thrombin-Hirugen-L405,426 | | 分子名称: | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN | | 著者 | Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | | 登録日 | 2002-09-23 | | 公開日 | 2004-04-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides.
Bioorg.Med.Chem.Lett., 13, 2003
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2C8X
 | | thrombin inhibitors | | 分子名称: | DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-{(2R,3S)-3-[(3-CHLOROBENZYL)AMINO]-2-HYDROXY-4-PHENYLBUTYL}-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE, ... | | 著者 | 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. | | 登録日 | 2005-12-08 | | 公開日 | 2006-07-04 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | | 主引用文献 | Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors
J.Med.Chem., 49, 2006
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3NXP
 | | Crystal structure of human prethrombin-1 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Chen, Z, Bush-Pelc, L.A, Di Cera, E. | | 登録日 | 2010-07-14 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of prethrombin-1.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6T57
 | | Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative | | 分子名称: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Ngo, K, Abazi, N, Heine, A, Klebe, G. | | 登録日 | 2019-10-15 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Thrombin in Complex with a D-Phe-Pro-N-amidinopiperidine Derivative
To Be Published
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