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1TOC
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STRUCTURE OF SERINE PROTEINASE
Descriptor: ORNITHODORIN, THROMBIN
Authors:Van De Locht, A, Huber, R, Bode, W.
Deposit date:1996-07-20
Release date:1997-07-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The ornithodorin-thrombin crystal structure, a key to the TAP enigma?
EMBO J., 15, 1996
1TQ7
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Crystal structure of the anticoagulant thrombin mutant W215A/E217A bound to PPACK
Descriptor: 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, Prothrombin, ...
Authors:Pineda, A.O, Chen, Z.-W, Caccia, S, Savvides, S.N, Waksman, G, Mathews, F.S, Di Cera, E.
Deposit date:2004-06-16
Release date:2004-08-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The anticoagulant thrombin mutant W215A/E217A has a collapsed primary specificity pocket
J.Biol.Chem., 279, 2004
1TWX
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Crystal structure of the thrombin mutant D221A/D222K
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, Prothrombin
Authors:Pineda, A.O, Zhang, E, Guinto, E.R, Savvides, S.N, Tulinsky, A, Di Cera, E.
Deposit date:2004-07-01
Release date:2005-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the thrombin mutant D221A/D222K: the Asp222:Arg187 ion-pair stabilizes the fast form
Biophys.Chem., 112, 2004
1TOM
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ALPHA-THROMBIN COMPLEXED WITH HIRUGEN
Descriptor: ALPHA-THROMBIN, HIRUGEN, METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE
Authors:Chen, Z.
Deposit date:1996-12-06
Release date:1997-03-12
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Synthesis, evaluation, and crystallographic analysis of L-371,912: A potent and selective active-site thrombin inhibitor.
Bioorg.Med.Chem.Lett., 7, 1997
1UCY
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THROMBIN COMPLEXED WITH FIBRINOPEPTIDE A ALPHA (RESIDUES 7-19). THREE COMPLEXES, ONE WITH EPSILON-THROMBIN AND TWO WITH ALPHA-THROMBIN
Descriptor: FIBRINOPEPTIDE A-ALPHA, THROMBIN
Authors:Martin, P, Edwards, B.
Deposit date:1996-08-30
Release date:1997-02-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bovine thrombin complexed with an uncleavable analog of residues 7-19 of fibrinogen A alpha: geometry of the catalytic triad and interactions of the P1', P2', and P3' substrate residues.
Biochemistry, 35, 1996
1SB1
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Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics
Descriptor: N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ...
Authors:Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D.
Deposit date:2004-02-09
Release date:2004-06-08
Last modified:2011-11-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics
Eur.J.Med.Chem., 39, 2004
1SR5
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ANTITHROMBIN-ANHYDROTHROMBIN-HEPARIN TERNARY COMPLEX STRUCTURE
Descriptor: 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol-(1-4)-1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol, ...
Authors:Dementiev, A, Petitou, M, Gettins, P.G.
Deposit date:2004-03-22
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The ternary complex of antithrombin-anhydrothrombin-heparin reveals the basis of inhibitor specificity.
Nat.Struct.Mol.Biol., 11, 2004
1TA6
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Crystal structure of thrombin in complex with compound 14b
Descriptor: 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE, Hirudin, thrombin
Authors:Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P.
Deposit date:2004-05-19
Release date:2004-06-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and synthesis of a series of potent and orally bioavailable noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position
J.Med.Chem., 41, 1998
1SG8
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Crystal structure of the procoagulant fast form of thrombin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, thrombin
Authors:Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E.
Deposit date:2004-02-23
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
1RIW
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Thrombin in complex with natural product inhibitor Oscillarin
Descriptor: (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin IIB, ...
Authors:Hanessian, S, Tremblay, M, Petersen, J.F.W.
Deposit date:2003-11-18
Release date:2004-11-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin
J.Am.Chem.Soc., 126, 2004
1UVS
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BOVINE THROMBIN--BM51.1011 COMPLEX
Descriptor: THROMBIN, [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN-4-YL-AMINOMETHYL]ALANYL]PIPERIDINE
Authors:Engh, R.A, Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
1TB6
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2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, W, Johnson, D.J, Esmon, C.T, Huntington, J.A.
Deposit date:2004-05-19
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin.
Nat.Struct.Mol.Biol., 11, 2004
1T4U
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Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin
Descriptor: 2-METHANESULFONYL-BENZENESULFONIC ACID 3-METHYL-5-((1-AMIDINOAMINOOXYMETHYL-CYCLOPROPYL)METHYLOXY)-PHENYLESTER, Hirudin IIIA, Prothrombin
Authors:Spurlino, J.
Deposit date:2004-04-30
Release date:2005-03-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis
BIOORG.MED.CHEM.LETT., 14, 2004
1UVT
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BOVINE THROMBIN--BM14.1248 COMPLEX
Descriptor: N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-ETHOXY]-PHENYL}-BENZENESULFONAMIDE, THROMBIN
Authors:Engh, R.A, Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
1SGI
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Crystal structure of the anticoagulant slow form of thrombin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, thrombin
Authors:Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E.
Deposit date:2004-02-23
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
1SL3
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crystal structue of Thrombin in complex with a potent P1 heterocycle-Aryl based inhibitor
Descriptor: (2-[6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE, Hirudin, thrombin
Authors:Young, M.B, Barrow, J.C, Glass, K.L, Lundell, G.F, Newton, C.L, Pellicore, J.M, Rittle, K.E, Selnick, H.G, Stauffer, K.J, Vacca, J.P, Williams, P.D, Bohn, D, Clayton, F.C, Cook, J.J, Krueger, J.A, Kuo, L.C, Lewis, S.D, Lucas, B.J, McMasters, D.R, Miller-Stein, C, Pietrak, B.L.
Deposit date:2004-03-05
Release date:2004-08-03
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors
J.Med.Chem., 47, 2004
1W7G
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Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107
Descriptor: HIRUDIN I, N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, THROMBIN
Authors:Remiche, J, Sauvage, E, Herman, R, Charlier, P.
Deposit date:2004-09-02
Release date:2006-05-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, Synthesis and Evaluation of Graftable Thrombin Inhibitors for the Preparation of Blood-Compatible Polymer Materials.
Org.Biomol.Chem., 3, 2005
1UVU
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BOVINE THROMBIN--BM12.1700 COMPLEX
Descriptor: 3-(7-DIAMINOMETHYL-NAPHTHALEN-2-YL)-PROPIONIC ACID ETHYL ESTER, THROMBIN
Authors:Engh, R.A, Huber, R.
Deposit date:1996-10-16
Release date:1997-11-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Enzyme flexibility, solvent and 'weak' interactions characterize thrombin-ligand interactions: implications for drug design.
Structure, 4, 1996
1UMA
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ALPHA-THROMBIN (HIRUGEN) COMPLEXED WITH NA-(N,N-DIMETHYLCARBAMOYL)-ALPHA-AZALYSINE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUDIN I, ...
Authors:Nardini, M, Pesce, A, Rizzi, M, Casale, E, Ferraccioli, R, Balliano, G, Milla, P, Ascenzi, P, Bolognesi, M.
Deposit date:1996-03-26
Release date:1996-11-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human alpha-thrombin inhibition by the active site titrant N alpha-(N,N-dimethylcarbamoyl)-alpha-azalysine p-nitrophenyl ester: a comparative kinetic and X-ray crystallographic study.
J.Mol.Biol., 258, 1996
1THP
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STRUCTURE OF HUMAN ALPHA-THROMBIN Y225P MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, PROTEIN (THROMBIN HEAVY CHAIN), PROTEIN (THROMBIN LIGHT CHAIN)
Authors:Caccia, S, Futterer, K, Di Cera, E, Waksman, G.
Deposit date:1999-01-26
Release date:1999-03-03
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Unexpected crucial role of residue 225 in serine proteases.
Proc.Natl.Acad.Sci.USA, 96, 1999
1TBQ
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CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor: RHODNIIN, THROMBIN
Authors:Van De Locht, A, Lamba, D, Bode, W.
Deposit date:1995-03-02
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995
1TA2
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Crystal structure of thrombin in complex with compound 1
Descriptor: 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE, Hirudin, thrombin
Authors:Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P.
Deposit date:2004-05-19
Release date:2004-06-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of a series of potent and orally bioavailable noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position
J.Med.Chem., 41, 1998
1TBR
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CRYSTAL STRUCTURE OF INSECT DERIVED DOUBLE DOMAIN KAZAL INHIBITOR RHODNIIN IN COMPLEX WITH THROMBIN
Descriptor: RHODNIIN, THROMBIN
Authors:Van De Locht, A, Lamba, D, Bode, W.
Deposit date:1995-03-03
Release date:1996-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Two heads are better than one: crystal structure of the insect derived double domain Kazal inhibitor rhodniin in complex with thrombin.
EMBO J., 14, 1995
1SHH
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Slow form of Thrombin Bound with PPACK
Descriptor: 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, thrombin
Authors:Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E.
Deposit date:2004-02-25
Release date:2004-06-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
1SFQ
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Fast form of thrombin mutant R(77a)A bound to PPACK
Descriptor: 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, SODIUM ION, ...
Authors:Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E.
Deposit date:2004-02-20
Release date:2004-06-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004

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