3QGN
| 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
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3R3G
| 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
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1TWX
| 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
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5EDM
| Crystal structure of prothrombin deletion mutant residues 154-167 ( Form I ) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Pozzi, N, Chen, Z, Di Cera, E. | Deposit date: | 2015-10-21 | Release date: | 2016-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | How the Linker Connecting the Two Kringles Influences Activation and Conformational Plasticity of Prothrombin. J.Biol.Chem., 291, 2016
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2FMJ
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3LU9
| Crystal structure of human thrombin mutant S195A in complex with the extracellular fragment of human PAR1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Proteinase-activated receptor 1, ... | Authors: | Gandhi, P.S, Chen, Z, Di Cera, E. | Deposit date: | 2010-02-17 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of thrombin bound to the uncleaved extracellular fragment of PAR1. J.Biol.Chem., 285, 2010
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2A0Q
| Structure of thrombin in 400 mM potassium chloride | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Papaconstantinou, M, Carrell, C.J, Pineda, A.O, Bobofchak, K.M, Mathews, F.S, Flordellis, C.S, Maragoudakis, M.E, Tsopanoglou, N.E, di Cera, E. | Deposit date: | 2005-06-16 | Release date: | 2005-07-12 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Thrombin Functions through Its RGD Sequence in a Non-canonical Conformation. J.Biol.Chem., 280, 2005
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3S7K
| Structure of thrombin mutant Y225P in the E form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, POTASSIUM ION, Prothrombin | Authors: | Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. | Deposit date: | 2011-05-26 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease. Biochemistry, 50, 2011
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3S7H
| Structure of thrombin mutant Y225P in the E* form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin | Authors: | Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. | Deposit date: | 2011-05-26 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease. Biochemistry, 50, 2011
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1Z8J
| Crystal structure of the thrombin mutant G193P 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: | Bobofchak, K.M, Pineda, A.O, Mathews, F.S, Di Cera, E. | Deposit date: | 2005-03-30 | Release date: | 2005-05-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Energetic and structural consequences of perturbing Gly-193 in the oxyanion hole of serine proteases J.Biol.Chem., 280, 2005
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1Z8I
| Crystal structure of the thrombin mutant G193A 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: | Bobofchak, K.M, Pineda, A.O, Mathews, F.S, Di Cera, E. | Deposit date: | 2005-03-30 | Release date: | 2005-05-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Energetic and structural consequences of perturbing Gly-193 in the oxyanion hole of serine proteases J.Biol.Chem., 280, 2005
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2PGQ
| Human thrombin mutant C191A-C220A in complex with the inhibitor 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 heavy chain, ... | Authors: | Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E. | Deposit date: | 2007-04-10 | Release date: | 2007-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Important role of the cys-191 cys-220 disulfide bond in thrombin function and allostery J.Biol.Chem., 282, 2007
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7KVE
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7KXY
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7KVF
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2OCV
| Structural basis of Na+ activation mimicry in murine thrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin | Authors: | Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E. | Deposit date: | 2006-12-21 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of na+ activation mimicry in murine thrombin. J.Biol.Chem., 282, 2007
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2PGB
| Inhibitor-free human thrombin mutant C191A-C220A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, SULFATE ION | Authors: | Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E. | Deposit date: | 2007-04-09 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Important role of the cys-191 cys-220 disulfide bond in thrombin function and allostery J.Biol.Chem., 282, 2007
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2OD3
| Human thrombin chimera with human residues 184a, 186, 186a, 186b, 186c and 222 replaced by murine thrombin equivalents. | 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 heavy chain, ... | Authors: | Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E. | Deposit date: | 2006-12-21 | Release date: | 2007-04-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of na+ activation mimicry in murine thrombin. J.Biol.Chem., 282, 2007
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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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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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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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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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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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4O03
| Crystal structure of Ca2+ bound prothrombin deletion mutant residues 146-167 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Prothrombin | Authors: | Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E. | Deposit date: | 2013-12-13 | Release date: | 2014-05-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.38 Å) | Cite: | The linker connecting the two kringles plays a key role in prothrombin activation. Proc.Natl.Acad.Sci.USA, 111, 2014
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3HK3
| Crystal structure of murine thrombin mutant W215A/E217A (one molecule in the asymmetric unit) | Descriptor: | Thrombin heavy chain, Thrombin light chain | Authors: | Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E. | Deposit date: | 2009-05-22 | Release date: | 2009-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A. J.Biol.Chem., 284, 2009
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