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PDB: 187 件
1KTS
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Thrombin Inhibitor Complex
分子名称: 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER, 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 (2.4 Å)
主引用文献Structure-based design of novel potent nonpeptide thrombin inhibitors.
J.Med.Chem., 45, 2002
1NRS
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CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
著者Tulinsky, A, Mathews, I.I.
登録日1994-01-18
公開日1994-05-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes.
Biochemistry, 33, 1994
3TU7
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Human alpha-thrombin complexed with N-(methylsulfonyl)-D-phenylalanyl-N-((1-carbamimidoyl-4-piperidinyl)methyl)-l-prolinamide (BMS-189664)
分子名称: Hirudin variant-2, N-(methylsulfonyl)-D-phenylalanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-L-prolinamide, Prothrombin
著者Malley, M, Sack, J.S.
登録日2011-09-16
公開日2011-10-12
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Molecular design and structure-activity relationships leading to the potent, selective, and orally active thrombin active site inhibitor BMS-189664.
Bioorg.Med.Chem.Lett., 12, 2002
3HAT
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ACTIVE SITE MIMETIC INHIBITION OF THROMBIN
分子名称: FPAM (FIBRINOPEPTIDE A MIMIC), Hirudin variant-2, Thrombin heavy chain, ...
著者Tulinsky, A, Mathews, I.I.
登録日1994-10-16
公開日1995-02-27
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
2PKS
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Thrombin in complex with inhibitor
分子名称: 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE, Hirudin, SODIUM ION, ...
著者Xue, Y.
登録日2007-04-18
公開日2008-04-22
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold.
Org.Biomol.Chem., 5, 2007
1TMU
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Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms
分子名称: 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, Hirudin variant-2, ...
著者Priestle, J.P, Gruetter, M.G.
登録日1994-05-26
公開日1994-09-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Changes in interactions in complexes of hirudin derivatives and human alpha-thrombin due to different crystal forms.
Protein Sci., 2, 1993
2BXU
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Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker
分子名称: 1-(2-{[(6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-2-OL, ALPHA THROMBIN, HIRUDIN
著者Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A.
登録日2005-07-27
公開日2006-10-26
最終更新日2016-12-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
Lett.Drug Des.Discovery, 3, 2006
1DWD
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CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
分子名称: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWC
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CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN IIIA, ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
1DWB
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CRYSTALLOGRAPHIC ANALYSIS AT 3.0-ANGSTROMS RESOLUTION OF THE BINDING TO HUMAN THROMBIN OF FOUR ACTIVE SITE-DIRECTED INHIBITORS
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BENZAMIDINE, ...
著者Banner, D.W, Hadvary, P.
登録日1992-08-19
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Crystallographic analysis at 3.0-A resolution of the binding to human thrombin of four active site-directed inhibitors.
J.Biol.Chem., 266, 1991
2BVX
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Design and Discovery of Novel, Potent Thrombin Inhibitors with a Solubilizing Cationic P1-P2-Linker
分子名称: ALPHA THROMBIN, HIRUDIN VARIANT-2, N-(5-CHLORO-BENZO[B]THIOPHEN-3-YLMETHYL)-2-[6-CHLORO-OXO-3-(2-PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-1-YL]-ACETAMIDE
著者Bulat, S, Bosio, S, Grabowski, E, Papadopoulos, M.A, Cerezo-Galvez, S, Rosenbaum, C, Matassa, V.G, Ott, I, Metz, G, Schamberger, J, Sekul, R, Feurer, A.
登録日2005-07-04
公開日2006-10-25
最終更新日2016-12-21
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design and Discovery of Novel, Potent Pyrazinone-Based Thrombin Inhibitors with a Solubilizing P1-P2-Linker
Lett.Drug Des.Discovery, 3, 2006
8EF4
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Solution structural bundle of bivalirudin - a bivalent hirudin based thrombin inhibitor
分子名称: Bivalirudin
著者Mishra, S.H, Bhavaraju, S.
登録日2022-09-08
公開日2022-10-05
実験手法SOLUTION NMR
主引用文献Solution structural bundle of bivalirudin - a bivalent hirudin based thrombin inhibitor
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