1JMO
| 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
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1JOU
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1LHE
| 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
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1LHD
| 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
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1LHG
| 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
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1LHC
| 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
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1LHF
| 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
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1MH0
| 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
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1KTS
| 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
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1MKX
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2FEQ
| 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
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2FES
| 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
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1GHV
| 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
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1GJ4
| 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
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1G32
| 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
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1GHX
| 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
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1G30
| 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
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1G37
| 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
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1GHY
| 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
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1GHW
| 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
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1GJ5
| 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
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1HAH
| 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
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1HAP
| 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
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1HBT
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1HAG
| 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
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