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1TQ7
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BU of 1tq7 by Molmil
Crystal structure of the anticoagulant thrombin mutant W215A/E217A bound to PPACK
分子名称: 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, ...
著者Pineda, A.O, Chen, Z.-W, Caccia, S, Savvides, S.N, Waksman, G, Mathews, F.S, Di Cera, E.
登録日2004-06-16
公開日2004-08-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The anticoagulant thrombin mutant W215A/E217A has a collapsed primary specificity pocket
J.Biol.Chem., 279, 2004
1TWX
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Crystal structure of the thrombin mutant D221A/D222K
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin, Prothrombin
著者Pineda, A.O, Zhang, E, Guinto, E.R, Savvides, S.N, Tulinsky, A, Di Cera, E.
登録日2004-07-01
公開日2005-04-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the thrombin mutant D221A/D222K: the Asp222:Arg187 ion-pair stabilizes the fast form
Biophys.Chem., 112, 2004
1TQ0
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BU of 1tq0 by Molmil
Crystal structure of the potent anticoagulant thrombin mutant W215A/E217A in free form
分子名称: Prothrombin
著者Pineda, A.O, Chen, Z.-W, Caccia, S, Savvides, S.N, Waksman, G, Mathews, F.S, Di Cera, E.
登録日2004-06-16
公開日2004-08-03
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The anticoagulant thrombin mutant W215A/E217A has a collapsed primary specificity pocket
J.Biol.Chem., 279, 2004
2HWL
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BU of 2hwl by Molmil
Crystal structure of thrombin in complex with fibrinogen gamma' peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibrinogen gamma' peptide, Prothrombin, ...
著者Pineda, A.O, Chen, Z.W, Marino, F, Mathews, F.S, Mosesson, M.W, Di Cera, E.
登録日2006-08-01
公開日2006-09-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of thrombin in complex with fibrinogen gamma' peptide.
Biophys.Chem., 125, 2007
1MH0
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BU of 1mh0 by Molmil
Crystal structure of the anticoagulant slow form of thrombin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin
著者Pineda, A.O, Savvides, S, Waksman, G, Di Cera, E.
登録日2002-08-18
公開日2002-11-08
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the anticoagulant slow form of thrombin
J.Biol.Chem., 277, 2002
1SG8
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Crystal structure of the procoagulant fast form of thrombin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, thrombin
著者Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E.
登録日2004-02-23
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
1SGI
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BU of 1sgi by Molmil
Crystal structure of the anticoagulant slow form of thrombin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, thrombin
著者Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E.
登録日2004-02-23
公開日2004-06-08
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
1SHH
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Slow form of Thrombin Bound with PPACK
分子名称: 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
著者Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E.
登録日2004-02-25
公開日2004-06-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
1SFQ
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Fast form of thrombin mutant R(77a)A bound to PPACK
分子名称: 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, ...
著者Pineda, A.O, Carrell, C.J, Bush, L.A, Prasad, S, Caccia, S, Chen, Z.W, Mathews, F.S, Di Cera, E.
登録日2004-02-20
公開日2004-06-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Molecular dissection of na+ binding to thrombin.
J.Biol.Chem., 279, 2004
1T31
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A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation
分子名称: 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, ...
著者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.
登録日2004-04-23
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
2PGQ
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BU of 2pgq by Molmil
Human thrombin mutant C191A-C220A in complex with the inhibitor PPACK
分子名称: 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, ...
著者Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E.
登録日2007-04-10
公開日2007-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Important role of the cys-191 cys-220 disulfide bond in thrombin function and allostery
J.Biol.Chem., 282, 2007
2PGB
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Inhibitor-free human thrombin mutant C191A-C220A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, SULFATE ION
著者Bush-Pelc, L.A, Marino, F, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E.
登録日2007-04-09
公開日2007-07-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Important role of the cys-191 cys-220 disulfide bond in thrombin function and allostery
J.Biol.Chem., 282, 2007
2A0Q
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BU of 2a0q by Molmil
Structure of thrombin in 400 mM potassium chloride
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, POTASSIUM ION, ...
著者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.
登録日2005-06-16
公開日2005-07-12
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Thrombin Functions through Its RGD Sequence in a Non-canonical Conformation.
J.Biol.Chem., 280, 2005
1Z8J
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BU of 1z8j by Molmil
Crystal structure of the thrombin mutant G193P bound to PPACK
分子名称: 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, ...
著者Bobofchak, K.M, Pineda, A.O, Mathews, F.S, Di Cera, E.
登録日2005-03-30
公開日2005-05-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Energetic and structural consequences of perturbing Gly-193 in the oxyanion hole of serine proteases
J.Biol.Chem., 280, 2005
1Z8I
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BU of 1z8i by Molmil
Crystal structure of the thrombin mutant G193A bound to PPACK
分子名称: 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, ...
著者Bobofchak, K.M, Pineda, A.O, Mathews, F.S, Di Cera, E.
登録日2005-03-30
公開日2005-05-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Energetic and structural consequences of perturbing Gly-193 in the oxyanion hole of serine proteases
J.Biol.Chem., 280, 2005
1T32
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A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation
分子名称: 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION
著者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.
登録日2004-04-23
公開日2005-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献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
2GP9
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Crystal structure of the slow form of thrombin in a self-inhibited conformation
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Prothrombin
著者Pineda, A, Chen, Z, Mathews, F.S, Di Cera, E.
登録日2006-04-17
公開日2006-09-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of thrombin in a self-inhibited conformation.
J.Biol.Chem., 281, 2006
3BEF
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BU of 3bef by Molmil
Crystal structure of thrombin bound to the extracellular fragment of PAR1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 1, Prothrombin
著者Gandhi, P.S, Bah, A, Chen, Z, Mathews, F.S, Di Cera, E.
登録日2007-11-17
公開日2008-01-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural identification of the pathway of long-range communication in an allosteric enzyme.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6P9U
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BU of 6p9u by Molmil
Crystal structure of human thrombin mutant W215A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION
著者Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E.
登録日2019-06-10
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
4DT7
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Crystal structure of thrombin bound to the activation domain QEDQVDPRLIDGKMTRRGDS of protein C
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Pozzi, N, Barranco-Medina, S, Chen, Z, Di Cera, E.
登録日2012-02-20
公開日2012-05-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Exposure of R169 controls protein C activation and autoactivation.
Blood, 120, 2012
3S7K
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Structure of thrombin mutant Y225P in the E form
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, POTASSIUM ION, Prothrombin
著者Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E.
登録日2011-05-26
公開日2011-07-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease.
Biochemistry, 50, 2011
5JDU
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BU of 5jdu by Molmil
Crystal structure for human thrombin mutant D189A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Pozzi, N, Chen, Z, Di Cera, E.
登録日2016-04-17
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
4MLF
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BU of 4mlf by Molmil
Crystal structure for the complex of thrombin mutant D102N and hirudin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Hirudin variant-1, ...
著者Vogt, A.D, Pozzi, N, Chen, Z, Di Cera, E.
登録日2013-09-06
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Essential role of conformational selection in ligand binding.
Biophys.Chem., 186C, 2014
3R3G
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Structure of human thrombin with residues 145-150 of murine thrombin.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin Heavy Chain, ...
著者Pozzi, N, Chen, R, Chen, Z, Bah, A, Di Cera, E.
登録日2011-03-15
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Rigidification of the autolysis loop enhances Na(+) binding to thrombin.
Biophys.Chem., 159, 2011
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.
分子名称: Proteinase-activated receptor 4, Thrombin heavy chain, Thrombin light chain
著者Gandhi, P, Chen, Z, Appelbaum, E, Zapata, F, Di Cera, E.
登録日2011-01-19
公開日2011-06-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of thrombin-protease-receptor interactions
IUBMB LIFE, 63, 2011

 

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