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1JMO
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Crystal Structure of the Heparin Cofactor II-S195A Thrombin Complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Baglin, T.P, Carrell, R.W, Esmon, C.T, Huntington, J.A.
Deposit date:2001-07-19
Release date:2002-08-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of native and thrombin-complexed heparin cofactor II reveal a multistep allosteric mechanism.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JOU
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Crystal Structure of Native S195A Thrombin with an Unoccupied Active Site
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, GLYCEROL, ...
Authors:Huntington, J.A, Esmon, C.T.
Deposit date:2001-07-31
Release date:2001-08-10
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The molecular basis of thrombin allostery revealed by a 1.8A structure of the slow form
Structure, 11, 2003
1LHE
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HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH
Descriptor: AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH, ALPHA-THROMBIN, HIRUDIN
Authors:Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHD
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HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROLYS-OH
Descriptor: AC-(D)PHE-PRO-BOROLYS-OH, ALPHA-THROMBIN, HIRUDIN
Authors:Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHG
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HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROORNITHINE-OH
Descriptor: AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH, ALPHA-THROMBIN, HIRUDIN
Authors:Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHC
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BU of 1lhc by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BOROARG-OH
Descriptor: AC-(D)PHE-PRO-BOROARG-OH, ALPHA-THROMBIN, HIRUDIN
Authors:Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1LHF
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HUMAN ALPHA-THROMBIN COMPLEXED WITH AC-(D)PHE-PRO-BORO-HOMOLYS-OH
Descriptor: AC-(D)PHE-PRO-BOROHOMOLYS-OH, ALPHA-THROMBIN, HIRUDIN
Authors:Weber, P.C, Lee, S.L, Lewandowski, F.A, Schadt, M.C, Chang, C.H, Kettner, C.A.
Deposit date:1994-12-27
Release date:1996-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinetic and crystallographic studies of thrombin with Ac-(D)Phe-Pro-boroArg-OH and its lysine, amidine, homolysine, and ornithine analogs.
Biochemistry, 34, 1995
1MH0
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Crystal structure of the anticoagulant slow form of thrombin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin
Authors:Pineda, A.O, Savvides, S, Waksman, G, Di Cera, E.
Deposit date:2002-08-18
Release date:2002-11-08
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the anticoagulant slow form of thrombin
J.Biol.Chem., 277, 2002
1KTS
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Thrombin Inhibitor Complex
Descriptor: 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER, hirudin IIB, thrombin
Authors:Nar, H.
Deposit date:2002-01-17
Release date:2002-02-06
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design of novel potent nonpeptide thrombin inhibitors.
J.Med.Chem., 45, 2002
1MKX
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THE CO-CRYSTAL STRUCTURE OF UNLIGANDED BOVINE ALPHA-THROMBIN AND PRETHROMBIN-2: MOVEMENT OF THE YPPW SEGMENT AND ACTIVE SITE RESIDUES UPON LIGAND BINDING
Descriptor: ALPHA-THROMBIN, PRETHROMBIN-2
Authors:Malkowski, M.G, Edwards, B.F.P.
Deposit date:1997-03-13
Release date:1997-07-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The co-crystal structure of unliganded bovine alpha-thrombin and prethrombin-2: movement of the Tyr-Pro-Pro-Trp segment and active site residues upon ligand binding.
Protein Sci., 6, 1997
2FEQ
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orally active thrombin inhibitors
Descriptor: Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({4-[(E)-AMINO(IMINO)METHYL]-1,3-THIAZOL-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ...
Authors:Mack, H, Baucke, D, Hornberger, W, Lange, U.E.W, Hoeffken, H.W.
Deposit date:2005-12-16
Release date:2006-08-08
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety
Bioorg.Med.Chem.Lett., 16, 2006
2FES
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Orally active thrombin inhibitors
Descriptor: Decapeptide Hirudin Analogue, N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-2-YL}METHYL)-L-PROLINAMIDE, Thrombin heavy chain, ...
Authors:Hoeffken, H.W.
Deposit date:2005-12-16
Release date:2006-05-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety.
Bioorg.Med.Chem.Lett., 16, 2006
1GHV
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor: 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
Authors: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.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GJ4
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SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN
Descriptor: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
Authors:Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
Deposit date:2001-04-27
Release date:2002-04-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
1G32
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THROMBIN INHIBITOR COMPLEX
Descriptor: 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-1-YLMETHYL)-1H-BENZOIMIDAZOL-2-YLMETHYL]-AMINO}-BENZAMIDINE, HIRUDIN IIB, PROTHROMBIN
Authors:Nar, H.
Deposit date:2000-10-23
Release date:2001-10-23
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
1GHX
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor: 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, CALCIUM ION, ...
Authors: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.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1G30
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THROMBIN INHIBITOR COMPLEX
Descriptor: HIRUDIN IIB, PROTHROMBIN, [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-1-METHYL-1H-BENZOIMIDAZOL-5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
Authors:Nar, H.
Deposit date:2000-10-23
Release date:2001-10-23
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for inhibition promiscuity of dual specific thrombin and factor Xa blood coagulation inhibitors.
Structure, 9, 2001
1G37
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CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH BCH-10556 AND EXOSITE-DIRECTED PEPTIDE
Descriptor: 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER, ALPHA THROMBIN, THROMBIN NONAPEPTIDE INHIBITOR
Authors:Bachand, B, Tarazi, M, St-Denis, Y, Edmunds, J.J, Winocour, P.D, Leblond, L, Siddiqui, M.A.
Deposit date:2000-10-23
Release date:2001-04-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors.
Bioorg.Med.Chem.Lett., 11, 2001
1GHY
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BU of 1ghy by Molmil
A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor: 2-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, CALCIUM ION, ...
Authors: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.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site.
J.Mol.Biol., 307, 2001
1GHW
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A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Descriptor: 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
Authors: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.
Deposit date:2001-01-22
Release date:2002-01-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site
J.Mol.Biol., 307, 2001
1GJ5
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SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN
Descriptor: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
Authors:Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
Deposit date:2001-04-27
Release date:2002-04-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
1HAH
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BU of 1hah by Molmil
THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:Tulinsky, A, Vijayalakshmi, J.
Deposit date:1994-06-27
Release date:1994-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin.
Protein Sci., 3, 1994
1HAP
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BU of 1hap by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH A 15MER OLIGONUCLEOTIDE GGTTGGTGTGGTTGG (BASED ON X-RAY MODEL OF DNA)
Descriptor: 5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3', D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, Thrombin heavy chain, ...
Authors:Padmanabhan, K, Tulinsky, A.
Deposit date:1995-10-03
Release date:1996-04-03
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An ambiguous structure of a DNA 15-mer thrombin complex.
Acta Crystallogr.,Sect.D, 52, 1996
1HBT
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Human alpha-thrombin complexed with a peptidyl pyridinium methyl ketone containing bivalent inhibitor
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), P596 Inhibitor peptide
Authors:Rehse, P.H, Cygler, M.
Deposit date:1995-04-06
Release date:1995-07-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a peptidyl pyridinium methyl ketone inhibitor with thrombin.
Biochemistry, 34, 1995
1HAG
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THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, PRETHROMBIN 2
Authors:Tulinsky, A, Vijayalakshmi, J.
Deposit date:1994-06-27
Release date:1994-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin.
Protein Sci., 3, 1994

221051

数据于2024-06-12公开中

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