3QDZ
 
 | | 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
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5JN8
 | | Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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5JNC
 | | Crystal structure for the complex of human carbonic anhydrase IV and 4-aminomethylbenzene sulfonamide | | Descriptor: | 4-(aminomethyl)benzene-1-sulfonamide, ACETATE ION, Carbonic anhydrase 4, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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5JNA
 | | Crystal structure for the complex of human carbonic anhydrase IV and topiramate | | Descriptor: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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5KU6
 | | Crystal structure for the complex of human carbonic anhydrase IV and methazolamide | | Descriptor: | ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... | | Authors: | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | Deposit date: | 2016-07-12 | | Release date: | 2017-07-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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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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7KVE
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7KXY
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7KVF
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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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4HZH
 | | Structure of recombinant Gla-domainless prothrombin mutant S525A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin | | Authors: | Pozzi, N, Niu, W, Gohara, D.W, Chen, Z, Di Cera, E. | | Deposit date: | 2012-11-15 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of prothrombin reveals conformational flexibility and mechanism of activation.
J.Biol.Chem., 288, 2013
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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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4RKJ
 | | Crystal structure of thrombin mutant S195T (free form) | | Descriptor: | GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ... | | Authors: | Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E. | | Deposit date: | 2014-10-13 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
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4RN6
 | | Structure of prethrombin-2 mutant s195a bound to the active site inhibitor argatroban | | Descriptor: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid, Thrombin heavy chain | | Authors: | Pozzi, N, Chen, Z, Zapata, F, Niu, W, Barranco-Medina, S, Pelc, L.A, Di Cera, E. | | Deposit date: | 2014-10-23 | | Release date: | 2014-11-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Autoactivation of thrombin precursors.
J.Biol.Chem., 288, 2013
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4MLF
 | | Crystal structure for the complex of thrombin mutant D102N and hirudin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hirudin variant-1, ... | | Authors: | Vogt, A.D, Pozzi, N, Chen, Z, Di Cera, E. | | Deposit date: | 2013-09-06 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Essential role of conformational selection in ligand binding.
Biophys.Chem., 186C, 2014
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4RKO
 | | Crystal structure of thrombin mutant S195T bound with PPACK | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E. | | Deposit date: | 2014-10-13 | | Release date: | 2015-03-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
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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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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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2FMJ
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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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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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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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