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3B9F
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1.6 A structure of the PCI-thrombin-heparin complex
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, GLYCEROL, Plasma serine protease inhibitor, ...
Authors:Li, W, Adams, T.E, Huntington, J.A.
Deposit date:2007-11-05
Release date:2008-04-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular basis of thrombin recognition by protein C inhibitor revealed by the 1.6-A structure of the heparin-bridged complex.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BEF
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BU of 3bef by Molmil
Crystal structure of thrombin bound to the extracellular fragment of PAR1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 1, Prothrombin
Authors:Gandhi, P.S, Bah, A, Chen, Z, Mathews, F.S, Di Cera, E.
Deposit date:2007-11-17
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural identification of the pathway of long-range communication in an allosteric enzyme.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3B23
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BU of 3b23 by Molmil
Crystal structure of thrombin-variegin complex: Insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
Descriptor: Thrombin heavy chain, Thrombin light chain, Variegin
Authors:Koh, C.Y, Kumar, S, Swaminathan, K, Kini, R.M.
Deposit date:2011-07-20
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of thrombin in complex with s-variegin: insights of a novel mechanism of inhibition and design of tunable thrombin inhibitors
Plos One, 6, 2011
3BIV
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Human thrombin-in complex with UB-THR11
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)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 (1.8 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
3BV9
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BU of 3bv9 by Molmil
Structure of Thrombin Bound to the Inhibitor FM19
Descriptor: FM19 inhibitor, GLYCEROL, IODIDE ION, ...
Authors:Nieman, M.T, Burke, F, Warnock, M, Zhou, Y, Sweigert, J, Chen, A, Ricketts, D, Lucchesi, B.R, Chen, Z, Di Cera, E, Hilfinger, J, Mosberg, H.I, Schmaier, A.H.
Deposit date:2008-01-05
Release date:2008-03-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Thrombostatin FM compounds: direct thrombin inhibitors - mechanism of action in vitro and in vivo.
J.Thromb.Haemost., 6, 2008
3C1K
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BU of 3c1k by Molmil
Crystal structure of thrombin in complex with inhibitor 15
Descriptor: 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide, Hirugen, Prothrombin
Authors:Yan, Y.
Deposit date:2008-01-23
Release date:2008-03-18
Last modified:2013-03-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles.
Bioorg.Med.Chem.Lett., 18, 2008
3PMA
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BU of 3pma by Molmil
2.2 Angstrom crystal structure of the complex between Bovine Thrombin and Sucrose Octasulfate
Descriptor: 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, CITRIC ACID, SODIUM ION, ...
Authors:Wright, H.T, Scarsdale, J.N, Desai, B.J.
Deposit date:2010-11-16
Release date:2011-07-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interaction of thrombin with sucrose octasulfate.
Biochemistry, 50, 2011
3PMH
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Mechanism of Sulfotyrosine-Mediated Glycoprotein Ib Interaction with Two Distinct alpha-Thrombin Sites
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-prolinamide, Platelet glycoprotein Ib alpha chain, ...
Authors:Varughese, K.I, Celikel, R.
Deposit date:2010-11-16
Release date:2011-06-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Binding of alpha-thrombin to surface-anchored platelet glycoprotein Ib(alpha) sulfotyrosines through a two-site mechanism involving exosite I.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PO1
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BU of 3po1 by Molmil
Thrombin in complex with Benzothiazole Guanidine
Descriptor: ACETATE ION, SODIUM ION, Thrombin heavy chain, ...
Authors:Xue, Y.
Deposit date:2010-11-21
Release date:2011-11-23
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV.
Bioorg.Med.Chem.Lett., 22, 2012
3QDZ
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BU of 3qdz by Molmil
Crystal structure of the human thrombin mutant D102N in complex with the extracellular fragment of human PAR4.
Descriptor: Proteinase-activated receptor 4, Thrombin heavy chain, Thrombin light chain
Authors:Gandhi, P, Chen, Z, Appelbaum, E, Zapata, F, Di Cera, E.
Deposit date:2011-01-19
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of thrombin-protease-receptor interactions
IUBMB LIFE, 63, 2011
3QGN
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BU of 3qgn by Molmil
The allosteric E*-E equilibrium is a key property of the trypsin fold
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, IODIDE ION, ...
Authors:Niu, W, Gohara, D, Chen, Z, Di Cera, E.
Deposit date:2011-01-24
Release date:2011-07-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystallographic and kinetic evidence of allostery in a trypsin-like protease.
Biochemistry, 50, 2011
3QX5
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BU of 3qx5 by Molmil
Thrombin Inhibition by Pyridin Derivatives
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-03-01
Release date:2012-03-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
3R3G
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Structure of human thrombin with residues 145-150 of murine thrombin.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin Heavy Chain, ...
Authors:Pozzi, N, Chen, R, Chen, Z, Bah, A, Di Cera, E.
Deposit date:2011-03-15
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Rigidification of the autolysis loop enhances Na(+) binding to thrombin.
Biophys.Chem., 159, 2011
3RLW
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BU of 3rlw by Molmil
Human Thrombin in complex with MI328
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3SHA
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BU of 3sha by Molmil
Human Thrombin In Complex With UBTHR97
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-06-16
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
3SHC
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BU of 3shc by Molmil
Human Thrombin In Complex With UBTHR101
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-06-16
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
3SI3
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BU of 3si3 by Molmil
Human Thrombin In Complex With UBTHR103
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-06-17
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
3RMM
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BU of 3rmm by Molmil
Human Thrombin in complex with MI332
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-04-21
Release date:2012-04-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3RM2
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BU of 3rm2 by Molmil
Human Thrombin in complex with MI003
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3RLY
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BU of 3rly by Molmil
Human Thrombin in complex with MI329
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-04-20
Release date:2012-04-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3RMN
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BU of 3rmn by Molmil
Human Thrombin in complex with MI341
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-04-21
Release date:2012-04-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3T5F
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BU of 3t5f by Molmil
Human Thrombin In Complex With MI340
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-07-27
Release date:2012-08-01
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
J.Med.Chem., 55, 2012
3PMB
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2.9 Angstrom crystal structure of bovine thrombin in tetragonal spacegroup
Descriptor: SODIUM ION, Thrombin heavy chain, Thrombin light chain
Authors:Wright, H.T, Scarsdale, J.N, Desai, B.J.
Deposit date:2010-11-16
Release date:2011-07-20
Last modified:2011-08-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interaction of thrombin with sucrose octasulfate.
Biochemistry, 50, 2011
3QTO
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BU of 3qto by Molmil
Thrombin Inhibition by Pyridin Derivatives
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ...
Authors:Biela, A, Heine, A, Klebe, G.
Deposit date:2011-02-23
Release date:2012-02-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin
J.Mol.Biol., 418, 2012
3SQH
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BU of 3sqh by Molmil
Crystal structure of prethrombin-2 mutant S195A in the the open form
Descriptor: Thrombin light chain, heavy chain
Authors:Pozzi, N, Chen, Z, Di Cera, E.
Deposit date:2011-07-05
Release date:2011-11-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of prethrombin-2 reveal alternative conformations under identical solution conditions and the mechanism of zymogen activation.
Biochemistry, 50, 2011

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