1T32
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![BU of 1t32 by Molmil](/molmil-images/mine/1t32) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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1SFQ
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![BU of 1sfq by Molmil](/molmil-images/mine/1sfq) | 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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1SGI
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![BU of 1sgi by Molmil](/molmil-images/mine/1sgi) | 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
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1THP
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![BU of 1thp by Molmil](/molmil-images/mine/1thp) | 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
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1SG8
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![BU of 1sg8 by Molmil](/molmil-images/mine/1sg8) | 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
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3GIC
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![BU of 3gic by Molmil](/molmil-images/mine/3gic) | Structure of thrombin mutant delta(146-149e) in the free form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain | Authors: | Bah, A, Carrell, C.J, Chen, Z, Gandhi, P.S, Di Cera, E. | Deposit date: | 2009-03-05 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Stabilization of the E* form turns thrombin into an anticoagulant. J.Biol.Chem., 284, 2009
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1TQ7
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![BU of 1tq7 by Molmil](/molmil-images/mine/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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3I78
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![BU of 3i78 by Molmil](/molmil-images/mine/3i78) | 35/99/170/186/220-loops of FXa in SGT | Descriptor: | BENZAMIDINE, SODIUM ION, SULFATE ION, ... | Authors: | Page, M.J, Di Cera, E. | Deposit date: | 2009-07-08 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Combinatorial Enzyme Design Probes Allostery and Cooperativity in the Trypsin Fold. J.Mol.Biol., 399, 2010
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3BEF
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![BU of 3bef by Molmil](/molmil-images/mine/3bef) | 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
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1T31
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![BU of 1t31 by Molmil](/molmil-images/mine/1t31) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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1TQ0
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![BU of 1tq0 by Molmil](/molmil-images/mine/1tq0) | Crystal structure of the potent anticoagulant thrombin mutant W215A/E217A in free form | Descriptor: | 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: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The anticoagulant thrombin mutant W215A/E217A has a collapsed primary specificity pocket J.Biol.Chem., 279, 2004
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3I77
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![BU of 3i77 by Molmil](/molmil-images/mine/3i77) | 35/99/170-loops of FXa in SGT | Descriptor: | ACETATE ION, CALCIUM ION, SULFATE ION, ... | Authors: | Page, M.J, Di Cera, E. | Deposit date: | 2009-07-08 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Combinatorial Enzyme Design Probes Allostery and Cooperativity in the Trypsin Fold. J.Mol.Biol., 399, 2010
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3BEI
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![BU of 3bei by Molmil](/molmil-images/mine/3bei) | Crystal structure of the slow form of thrombin in a self_inhibited conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin | Authors: | Gandhi, P.S, Chen, Z, Mathews, F.S, Di Cera, E. | Deposit date: | 2007-11-19 | Release date: | 2007-12-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural identification of the pathway of long-range communication in an allosteric enzyme. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3BV9
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![BU of 3bv9 by Molmil](/molmil-images/mine/3bv9) | 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
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3BEU
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![BU of 3beu by Molmil](/molmil-images/mine/3beu) | Na+-Dependent Allostery Mediates Coagulation Factor Protease Active Site Selectivity | Descriptor: | BENZAMIDINE, CALCIUM ION, SODIUM ION, ... | Authors: | Page, M.J, Carrell, C.J, Di Cera, E. | Deposit date: | 2007-11-20 | Release date: | 2008-03-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Engineering protein allostery: 1.05 A resolution structure and enzymatic properties of a Na+-activated trypsin. J.Mol.Biol., 378, 2008
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