1BHX
 
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1OOK
 | | Crystal Structure of the Complex of Platelet Receptor GPIb-alpha and Human alpha-Thrombin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Human Alpha Thrombin, ... | | Authors: | Varughese, K.I, Celikel, R, Ruggeri, Z.M. | | Deposit date: | 2003-03-03 | | Release date: | 2003-07-22 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Modulation of alpha-thrombin function by distinct interactions with platelet
glycoprotein Ibalpha
Science, 301, 2003
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1FPC
 | | ACTIVE SITE MIMETIC INHIBITION OF THROMBIN | | Descriptor: | Hirudin, amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium, thrombin | | Authors: | Tulinsky, A, Mathews, I.I. | | Deposit date: | 1994-10-16 | | Release date: | 1995-02-27 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
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3HTC
 | | THE STRUCTURE OF A COMPLEX OF RECOMBINANT HIRUDIN AND HUMAN ALPHA-THROMBIN | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN VARIANT 2 | | Authors: | Tulinsky, A, Rydel, T.J, Ravichandran, K.G, Huber, R, Bode, W. | | Deposit date: | 1993-06-11 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The structure of a complex of recombinant hirudin and human alpha-thrombin.
Science, 249, 1990
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1TA2
 | | 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
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3BIU
 | | Human thrombin-in complex with UB-THR10 | | Descriptor: | (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, ... | | Authors: | Gerlach, C, Smolinski, M, Steuber, H, Sotriffer, C.A, Heine, A, Hangauer, D.G, Klebe, G. | | Deposit date: | 2007-12-01 | | Release date: | 2007-12-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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4HTC
 | | THE REFINED STRUCTURE OF THE HIRUDIN-THROMBIN COMPLEX | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | | Authors: | Tulinsky, A, Rydel, T.J, Bode, W, Huber, R. | | Deposit date: | 1993-06-25 | | Release date: | 1994-01-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Refined structure of the hirudin-thrombin complex.
J.Mol.Biol., 221, 1991
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1XM1
 | | Nonbasic Thrombin Inhibitor Complex | | Descriptor: | Hirudin, N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-L-LYSINAMIDE, thrombin | | Authors: | Friedrich, R, Bode, W, Schwienhorst, A. | | Deposit date: | 2004-10-01 | | Release date: | 2005-05-10 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Nonbasic Thrombin Inhibitor Complex
To be Published
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1THR
 | | STRUCTURES OF THROMBIN COMPLEXES WITH A DESIGNED AND A NATURAL EXOSITE INHIBITOR | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRULLIN | | 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 (2.3 Å) | | Cite: | Structures of thrombin complexes with a designed and a natural exosite peptide inhibitor.
J.Biol.Chem., 268, 1993
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1BTH
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4E05
 | | Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ... | | Authors: | Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B. | | Deposit date: | 2012-03-02 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
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6T7H
 | | Crystal structure of Thrombin in complex with macrocycle N14-PR4-A | | Descriptor: | (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Angelini, A, Kumar, M.G, Heinis, C, Cendron, L. | | Deposit date: | 2019-10-22 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Macrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries.
Chem Sci, 11, 2020
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5TO3
 | | Crystal structure of thrombin mutant W215A/E217A fused to EGF456 of thrombomodulin via a 31-residue linker and bound to PPACK | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(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, ... | | Authors: | Barranco-Medina, S, Murphy, M, Pelc, L, Chen, Z, Di Cera, E, Pozzi, N. | | Deposit date: | 2016-10-16 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Rational Design of Protein C Activators.
Sci Rep, 7, 2017
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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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4I7Y
 | | Crystal Structure of Human Alpha Thrombin in Complex with a 27-mer Aptamer Bound to Exosite II | | 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, DNA (27-MER), ... | | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | | Deposit date: | 2012-12-01 | | Release date: | 2013-10-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Duplex-quadruplex motifs in a peculiar structural organization cooperatively contribute to thrombin binding of a DNA aptamer.
Acta Crystallogr.,Sect.D, 69, 2013
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3JZ2
 | | Crystal structure of human thrombin mutant N143P in E* form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Thrombin heavy chain, ... | | Authors: | Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E. | | Deposit date: | 2009-09-22 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
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1CGL
 | | Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor | | Descriptor: | CALCIUM ION, FIBROBLAST COLLAGENASE, N-[(1S)-3-{[(benzyloxy)carbonyl]amino}-1-carboxypropyl]-L-leucyl-N-(2-morpholin-4-ylethyl)-L-phenylalaninamide, ... | | Authors: | Lovejoy, B, Cleasby, A, Hassell, A.M, Longley, K, Luther, M.A, Weigl, D, Mcgeehan, G, Mcelroy, A.B, Drewry, D, Lambert, M.H, Jordan, S.R. | | Deposit date: | 1993-11-17 | | Release date: | 1995-02-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor.
Science, 263, 1994
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2HWL
 | | Crystal structure of thrombin in complex with fibrinogen gamma' peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen gamma' peptide, Prothrombin, ... | | Authors: | Pineda, A.O, Chen, Z.W, Marino, F, Mathews, F.S, Mosesson, M.W, Di Cera, E. | | Deposit date: | 2006-08-01 | | Release date: | 2006-09-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of thrombin in complex with fibrinogen gamma' peptide.
Biophys.Chem., 125, 2007
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6PX5
 | | CRYSTAL STRUCTURE OF HUMAN MEIZOTHROMBIN DESF1 MUTANT S195A bound with PPACK | | 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, Prothrombin, ... | | Authors: | Pelc, L.A, Koester, S.K, Chen, Z, Gistover, N, Di Cera, E. | | Deposit date: | 2019-07-24 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
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1HAI
 | | 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 (2.4 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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1NRR
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3DT0
 | | Understanding Thrombin Inhibition | | Descriptor: | Hirudin variant-1, N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide, SODIUM ION, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-07-14 | | Release date: | 2009-06-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Understanding Thrombin Inhibition
To be Published
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3GIS
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1ABJ
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1TQ7
 | | 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
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