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1THS
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BU of 1ths by Molmil
STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), SYNTHETIC INHIBITOR
Authors:Qiu, X, Yin, M, Padmanabhan, K.P, Krstenansky, J.L, Tulinsky, A.
Deposit date:1993-06-16
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor.
J.Biol.Chem., 268, 1993
1VIT
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BU of 1vit by Molmil
THROMBIN:HIRUDIN 51-65 COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA THROMBIN, ...
Authors:Vitali, J, Edwards, B.F.P.
Deposit date:1996-01-31
Release date:1997-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of a bovine thrombin-hirudin51-65 complex determined by a combination of molecular replacement and graphics. Incorporation of known structural information in molecular replacement.
Acta Crystallogr.,Sect.D, 52, 1996
1VR1
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Specifity for Plasminogen Activator Inhibitor-1
Descriptor: Hirudin, thrombin
Authors:Dekker, R.J, Eichinger, A, Stoop, A.A, Bode, W, Pannekoek, H, Horrevoets, A.J.G.
Deposit date:1998-12-11
Release date:1999-12-29
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The variable region-1 from tissue-type plasminogen activator confers specificity for plasminogen activator inhibitor-1 to thrombin by facilitating catalysis: release of a kinetic block by a heterologous protein surface loop
J.Mol.Biol., 293, 1999
1WAY
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BU of 1way by Molmil
Active site thrombin inhibitors
Descriptor: 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL-5-YL]PIPERIDINE, DIMETHYL SULFOXIDE, HIRUGEN, ...
Authors:Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H.
Deposit date:2004-10-28
Release date:2005-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1WBG
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BU of 1wbg by Molmil
Active site thrombin inhibitors
Descriptor: 3-(4-CHLOROPHENYL)-5-(METHYLTHIO)-4H-1,2,4-TRIAZOLE, DIMETHYL SULFOXIDE, HIRUGEN, ...
Authors:Hartshorn, M.J, Murray, C.W, Cleasby, A, Frederickson, M, Tickle, I.J, Jhoti, H.
Deposit date:2004-11-01
Release date:2005-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
1AFE
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BU of 1afe by Molmil
HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP
Descriptor: 2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ...
Authors:De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P.
Deposit date:1997-03-06
Release date:1997-12-03
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
1AIX
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BU of 1aix by Molmil
HUMAN ALPHA-THROMBIN TERNARY COMPLEX WITH EXOSITE INHIBITOR HIRUGEN AND ACTIVE SITE INHIBITOR PHCH2OCO-D-DPA-PRO-BOROVAL
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
Authors:Skordalakes, E, Dodson, G, Elgendy, S, Goodwin, C.A, Green, D, Tyrrel, R, Scully, M.F, Freyssinet, J, Kakkar, V.V, Deadman, J.
Deposit date:1997-04-30
Release date:1997-10-15
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.
Protein Sci., 1, 1992
1A2C
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BU of 1a2c by Molmil
Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA
Descriptor: Aeruginosin 298-A, Hirudin variant-2, SODIUM ION, ...
Authors:Rios-Steiner, J.L, Murakami, M, Tulinsky, A.
Deposit date:1997-12-26
Release date:1998-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Thrombin Inhibited by Aeruginosin 298-A from a Blue-Green Alga
J.Am.Chem.Soc., 120, 1998
1A46
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BU of 1a46 by Molmil
THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR
Descriptor: (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), ...
Authors:St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M.
Deposit date:1998-02-11
Release date:1998-05-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin.
J.Med.Chem., 42, 1999
1BHX
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X-RAY STRUCTURE OF THE COMPLEX OF HUMAN ALPHA THROMBIN WITH THE INHIBITOR SDZ 229-357
Descriptor: 5-OXO-6-PHENYLMETHANESULFONYLAMINO-HEXAHYDRO-THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID (3-GUANIDINO-PROPYL)-AMIDE, ALPHA THROMBIN
Authors:Kallen, J.
Deposit date:1998-06-10
Release date:1998-11-04
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational design, synthesis, and X-ray structure of selective noncovalent thrombin inhibitors.
J.Med.Chem., 41, 1998
1C4V
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BU of 1c4v by Molmil
SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES.
Descriptor: 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO [1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A.
Deposit date:1999-09-25
Release date:2000-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
1C4U
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BU of 1c4u by Molmil
SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES.
Descriptor: 2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE, PROTEIN (HIRUGEN), SODIUM ION, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A.
Deposit date:1999-09-25
Release date:2000-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
1C4Y
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SELECTIVE NON-ELECTROPHILIC THROMBIN INHIBITORS
Descriptor: 2-(2,2-DIPHENYL-ETHYL)-7-METHYL-1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID [4-(2-AMINO-3H-IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE, HIRUGEN, THROMBIN:LONG CHAIN, ...
Authors:Krishnan, R, Mochalkin, I, Arni, R.K, Tulinsky, A.
Deposit date:1999-10-05
Release date:2000-10-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1.
Acta Crystallogr.,Sect.D, 56, 2000
1C5L
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STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
Descriptor: CALCIUM ION, Hirudin, SODIUM ION, ...
Authors:Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
Deposit date:1999-12-22
Release date:2000-12-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5N
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BU of 1c5n by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
Descriptor: 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, Hirudin, ...
Authors:Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
Deposit date:1999-12-22
Release date:2000-12-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1C5O
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BU of 1c5o by Molmil
STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR
Descriptor: BENZAMIDINE, Hirudin, SODIUM ION, ...
Authors:Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L.
Deposit date:1999-12-22
Release date:2000-12-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator.
Chem.Biol., 7, 2000
1BCU
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BU of 1bcu by Molmil
ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND PROFLAVIN
Descriptor: ALPHA-THROMBIN, HIRUGEN, PROFLAVIN
Authors:Conti, E, Rivetti, C, Wonacott, A, Brick, P.
Deposit date:1998-05-02
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray and spectrophotometric studies of the binding of proflavin to the S1 specificity pocket of human alpha-thrombin.
FEBS Lett., 425, 1998
1BBR
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BU of 1bbr by Molmil
THE STRUCTURE OF RESIDUES 7-16 OF THE A ALPHA CHAIN OF HUMAN FIBRINOGEN BOUND TO BOVINE THROMBIN AT 2.3 ANGSTROMS RESOLUTION
Descriptor: EPSILON-THROMBIN, FIBRINOGEN ALPHA/ALPHA-E CHAIN PRECURSOR
Authors:Martin, P, Edwards, B.
Deposit date:1992-04-27
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of residues 7-16 of the A alpha-chain of human fibrinogen bound to bovine thrombin at 2.3-A resolution.
J.Biol.Chem., 267, 1992
1AHT
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CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND P-AMIDINOPHENYLPYRUVATE AT 1.6 ANGSTROMS RESOLUTION
Descriptor: (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:Chen, Z.
Deposit date:1995-03-17
Release date:1996-03-17
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human alpha-thrombin complexed with hirugen and p-amidinophenylpyruvate at 1.6 A resolution.
Arch.Biochem.Biophys., 322, 1995
1BA8
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THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-23
Release date:1999-04-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1AVG
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BU of 1avg by Molmil
THROMBIN INHIBITOR FROM TRIATOMA PALLIDIPENNIS
Descriptor: THROMBIN, TRIABIN
Authors:Fuentes-Prior, P, Huber, R, Bode, W.
Deposit date:1997-09-16
Release date:1998-12-30
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the thrombin complex with triabin, a lipocalin-like exosite-binding inhibitor derived from a triatomine bug.
Proc.Natl.Acad.Sci.USA, 94, 1997
1B7X
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STRUCTURE OF HUMAN ALPHA-THROMBIN Y225I MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE
Descriptor: PROTEIN (INHIBITOR), PROTEIN (THROMBIN HEAVY CHAIN), PROTEIN (THROMBIN LIGHT CHAIN)
Authors:Caccia, S, Futterer, K, Di Cera, E, Waksman, G.
Deposit date:1999-01-25
Release date:1999-03-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unexpected crucial role of residue 225 in serine proteases.
Proc.Natl.Acad.Sci.USA, 96, 1999
1A0H
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BU of 1a0h by Molmil
THE X-RAY CRYSTAL STRUCTURE OF PPACK-MEIZOTHROMBIN DESF1: KRINGLE/THROMBIN AND CARBOHYDRATE/KRINGLE/THROMBIN INTERACTIONS AND LOCATION OF THE LINKER CHAIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, MEIZOTHROMBIN
Authors:Martin, P.D, Malkowski, M.G, Box, J, Esmon, C.T, Edwards, B.F.P.
Deposit date:1997-11-30
Release date:1998-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:New insights into the regulation of the blood clotting cascade derived from the X-ray crystal structure of bovine meizothrombin des F1 in complex with PPACK.
Structure, 5, 1997
1A3B
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COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG1
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), Hirudin, ...
Authors:Skordalakes, E, Elgendy, S, Dodson, G, Goodwin, C.A, Green, D, Scully, M.F, Freyssinet, J.H, Kakkar, V.V, Deadman, J.
Deposit date:1998-01-20
Release date:1998-06-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
1AD8
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COMPLEX OF THROMBIN WITH AND INHIBITOR CONTAINING A NOVEL P1 MOIETY
Descriptor: HIRUDIN (53-65) PEPTIDE, SODIUM ION, THROMBIN (LARGE SUBUNIT), ...
Authors:Schreuder, H, Tardif, C, Malikayil, J.A.
Deposit date:1997-02-24
Release date:1997-11-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular design and characterization of an alpha-thrombin inhibitor containing a novel P1 moiety.
Biochemistry, 36, 1997

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