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PDB: 119 件
1A61
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THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR
分子名称: (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[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1998-03-05
公開日1998-06-17
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
1HGT
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STRUCTURE OF THE HIRUGEN AND HIRULOG 1 COMPLEXES OF ALPHA-THROMBIN
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN
著者Tulinsky, A, Skrzypczak-Jankun, E.
登録日1991-06-03
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Structure of the hirugen and hirulog 1 complexes of alpha-thrombin.
J.Mol.Biol., 221, 1991
2C93
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thrombin inhibitors
分子名称: DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-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2005-12-09
公開日2006-07-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 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
2C8Y
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thrombin inhibitors
分子名称: DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE, ...
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2023-12-13
実験手法X-RAY DIFFRACTION (2.2 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
1WBG
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Active site thrombin inhibitors
分子名称: 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE, DIMETHYL SULFOXIDE, HIRUGEN, ...
著者Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H.
登録日2004-11-01
公開日2005-01-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
4E7R
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Thrombin in complex with 3-amidinophenylalanine inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide, GLYCEROL, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2012-03-19
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献New 3-amidinophenylalanine-derived inhibitors of matriptase
MEDCHEMCOMM, 3, 2012
2C90
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thrombin inhibitors
分子名称: 1-(4-CHLOROPHENYL)-1H-TETRAZOLE, DIMETHYL SULFOXIDE, HIRUDIN VARIANT-2, ...
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2023-12-13
実験手法X-RAY DIFFRACTION (2.25 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
3HTC
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THE STRUCTURE OF A COMPLEX OF RECOMBINANT HIRUDIN AND HUMAN ALPHA-THROMBIN
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN VARIANT 2
著者Tulinsky, A, Rydel, T.J, Ravichandran, K.G, Huber, R, Bode, W.
登録日1993-06-11
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of a complex of recombinant hirudin and human alpha-thrombin.
Science, 249, 1990
3BIU
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Human thrombin-in complex with UB-THR10
分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, ...
著者Gerlach, C, Smolinski, M, Steuber, H, Sotriffer, C.A, Heine, A, Hangauer, D.G, Klebe, G.
登録日2007-12-01
公開日2007-12-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Thermodynamic Inhibition Profile of a Cyclopentyl and a Cyclohexyl Derivative towards Thrombin: The Same but for Different Reasons
Angew.Chem.Int.Ed.Engl., 46, 2007
4HTC
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THE REFINED STRUCTURE OF THE HIRUDIN-THROMBIN COMPLEX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
著者Tulinsky, A, Rydel, T.J, Bode, W, Huber, R.
登録日1993-06-25
公開日1994-01-31
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Refined structure of the hirudin-thrombin complex.
J.Mol.Biol., 221, 1991
1TBZ
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HUMAN THROMBIN WITH ACTIVE SITE N-METHYL-D PHENYLALANYL-N-[5-(AMINOIMINOMETHYL)AMINO]-1-{{BENZOTHIAZOLYL)CARBONYL] BUTYL]-L-PROLINAMIDE TRIFLUROACETATE AND EXOSITE-HIRUGEN
分子名称: ALPHA-THROMBIN, D-phenylalanyl-N-{(1S)-1-[(S)-1,3-benzothiazol-2-yl(hydroxy)methyl]-4-carbamimidamidobutyl}-L-prolinamide, HIRUGEN, ...
著者Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A.
登録日1998-02-05
公開日1998-05-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site.
Biophys.J., 71, 1996
1TMB
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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
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
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
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
To Be Published

222926

件を2024-07-24に公開中

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