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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3NXP
| Crystal structure of human prethrombin-1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Chen, Z, Bush-Pelc, L.A, Di Cera, E. | Deposit date: | 2010-07-14 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of prethrombin-1. Proc.Natl.Acad.Sci.USA, 107, 2010
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1MH0
| Crystal structure of the anticoagulant slow form of thrombin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | Authors: | Pineda, A.O, Savvides, S, Waksman, G, Di Cera, E. | Deposit date: | 2002-08-18 | Release date: | 2002-11-08 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the anticoagulant slow form of thrombin J.Biol.Chem., 277, 2002
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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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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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2GP9
| Crystal structure of the slow form of thrombin in a self-inhibited conformation | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Prothrombin | Authors: | Pineda, A, Chen, Z, Mathews, F.S, Di Cera, E. | Deposit date: | 2006-04-17 | Release date: | 2006-09-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of thrombin in a self-inhibited conformation. J.Biol.Chem., 281, 2006
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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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4H6T
| Crystal structure of prethrombin-2 mutant E14eA/D14lA/E18A/S195A | Descriptor: | PHOSPHATE ION, Prothrombin | Authors: | Pozzi, N, Chen, Z, Zapata, F, Pelc, L.A, Di Cera, E. | Deposit date: | 2012-09-19 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
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4H6S
| Crystal structure of thrombin mutant E14eA/D14lA/E18A/S195A | Descriptor: | Prothrombin, SODIUM ION | Authors: | Pozzi, N, Chen, Z, Zapata, F, Pelc, L.A, Di Cera, E. | Deposit date: | 2012-09-19 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Autoactivation of thrombin precursors. J.Biol.Chem., 288, 2013
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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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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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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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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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6PXQ
| Crystal structure of human thrombin mutant D194A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain | Authors: | Stojanovski, B, Chen, Z, Koester, S.K, Pelc, L.A, Di Cera, E. | Deposit date: | 2019-07-26 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Role of the I16-D194 ionic interaction in the trypsin fold. Sci Rep, 9, 2019
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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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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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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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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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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
| 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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6V5T
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6V64
| Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, Thrombin heavy chain, ... | Authors: | Ruben, E.A, Chen, Z, Di Cera, E. | Deposit date: | 2019-12-04 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | 19F NMR reveals the conformational properties of free thrombin and its zymogen precursor prethrombin-2. J.Biol.Chem., 295, 2020
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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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