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3DT0
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BU of 3dt0 by Molmil
Understanding Thrombin Inhibition
分子名称: Hirudin variant-1, N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide, SODIUM ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2008-07-14
公開日2009-06-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Understanding Thrombin Inhibition
To be Published
4CH2
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BU of 4ch2 by Molmil
Low-salt crystal structure of a thrombin-GpIbalpha peptide complex
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
著者Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A.
登録日2013-11-28
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Gpibalpha Interacts Exclusively with Exosite II of Thrombin
J.Mol.Biol., 426, 2014
4BAK
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BU of 4bak by Molmil
Thrombin in complex with inhibitor
分子名称: (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BOH
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Madanins (MEROPS I53) are cleaved by thrombin and factor Xa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, SULFATE ION, ...
著者Figueiredo, A.C, deSanctis, D, Pereira, P.J.B.
登録日2013-05-20
公開日2013-09-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献The Tick-Derived Anticoagulant Madanin is Processed by Thrombin and Factor Xa.
Plos One, 8, 2013
4DII
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BU of 4dii by Molmil
X-ray structure of the complex between human alpha thrombin and thrombin binding aptamer in the presence of potassium ions
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F.
登録日2012-01-31
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity.
Nucleic Acids Res., 40, 2012
4BAO
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BU of 4bao by Molmil
Thrombin in complex with inhibitor
分子名称: (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4DY7
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BU of 4dy7 by Molmil
Crystal structures of protease nexin-1 in complex with S195A thrombin
分子名称: ACETATE ION, CALCIUM ION, Glia-derived nexin, ...
著者Huntington, J.A, Li, W.
登録日2012-02-28
公開日2012-08-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structures of protease nexin-1 in complex with heparin and thrombin suggest a 2-step recognition mechanism.
Blood, 120, 2012
2ODY
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BU of 2ody by Molmil
Thrombin-bound boophilin displays a functional and accessible reactive-site loop
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Boophilin, PHOSPHATE ION, ...
著者Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
登録日2006-12-27
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Isolation, cloning and structural characterisation of boophilin, a multifunctional kunitz-type proteinase inhibitor from the cattle tick.
Plos One, 3, 2008
2OD3
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BU of 2od3 by Molmil
Human thrombin chimera with human residues 184a, 186, 186a, 186b, 186c and 222 replaced by murine thrombin equivalents.
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Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E.
登録日2006-12-21
公開日2007-04-10
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of na+ activation mimicry in murine thrombin.
J.Biol.Chem., 282, 2007
2OCV
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Structural basis of Na+ activation mimicry in murine thrombin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin
著者Marino, F, Chen, Z, Ergenekan, C.E, Bush, L.A, Mathews, F.S, Di Cera, E.
登録日2006-12-21
公開日2007-04-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of na+ activation mimicry in murine thrombin.
J.Biol.Chem., 282, 2007
4AYY
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BU of 4ayy by Molmil
Human thrombin - inhibitor complex
分子名称: (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ...
著者Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K.
登録日2012-06-22
公開日2012-08-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors.
J.Med.Chem., 37, 1994
4BAN
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BU of 4ban by Molmil
Thrombin in complex with inhibitor
分子名称: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-2, ...
著者Xue, Y, Musil, D.
登録日2012-09-14
公開日2013-01-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
2PF2
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THE CA+2 ION AND MEMBRANE BINDING STRUCTURE OF THE GLA DOMAIN OF CA-PROTHROMBIN FRAGMENT 1
分子名称: CALCIUM ION, PROTHROMBIN FRAGMENT 1
著者Soriano-Garcia, M, Padmanabhan, K, De vos, A.M, Tulinsky, A.
登録日1991-12-08
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Ca2+ ion and membrane binding structure of the Gla domain of Ca-prothrombin fragment 1.
Biochemistry, 31, 1992
4E05
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BU of 4e05 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
著者Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
登録日2012-03-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E06
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BU of 4e06 by Molmil
Anophelin from the malaria vector inhibits thrombin through a novel reverse-binding mechanism
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
著者Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
登録日2012-03-02
公開日2012-12-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.196 Å)
主引用文献Unique thrombin inhibition mechanism by anophelin, an anticoagulant from the malaria vector.
Proc.Natl.Acad.Sci.USA, 109, 2012
4E7R
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BU of 4e7r by Molmil
Thrombin in complex with 3-amidinophenylalanine inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-{[(2',4'-dichlorobiphenyl-3-yl)sulfonyl]amino}-3-oxopropyl]benzenecarboximidamide, GLYCEROL, ...
著者Ruehmann, E, Heine, A, Klebe, G.
登録日2012-03-19
公開日2012-06-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献New 3-amidinophenylalanine-derived inhibitors of matriptase
MEDCHEMCOMM, 3, 2012
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
2PKS
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BU of 2pks by Molmil
Thrombin in complex with inhibitor
分子名称: 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE, Hirudin, SODIUM ION, ...
著者Xue, Y.
登録日2007-04-18
公開日2008-04-22
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold.
Org.Biomol.Chem., 5, 2007
4CH8
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BU of 4ch8 by Molmil
High-salt crystal structure of a thrombin-GpIbalpha peptide complex
分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
著者Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A.
登録日2013-11-29
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Gpibalpha Interacts Exclusively with Exosite II of Thrombin
J.Mol.Biol., 426, 2014
2PV9
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BU of 2pv9 by Molmil
Crystal structure of murine thrombin in complex with the extracellular fragment of murine PAR4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 4, Thrombin heavy chain, ...
著者Bah, A, Chen, Z, Bush-Pelc, L.A, Mathews, F.S, Di Cera, E.
登録日2007-05-09
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structures of murine thrombin in complex with the extracellular fragments of murine protease-activated receptors PAR3 and PAR4.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4DT7
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BU of 4dt7 by Molmil
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
2PGB
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BU of 2pgb by Molmil
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
4DIH
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BU of 4dih by Molmil
X-ray structure of the complex between human alpha thrombin and thrombin binding aptamer in the presence of sodium ions
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
著者Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F.
登録日2012-01-31
公開日2012-07-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of two complexes between thrombin and thrombin-binding aptamer shed light on the role of cations in the aptamer inhibitory activity.
Nucleic Acids Res., 40, 2012
2PF1
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BU of 2pf1 by Molmil
STRUCTURE OF BOVINE PROTHROMBIN FRAGMENT 1 REFINED AT 2.25 ANGSTROMS RESOLUTION
分子名称: PROTHROMBIN FRAGMENT 1
著者Seshadri, T.P, Tulinsky, A, Skrzypczak-Jankun, E, Park, C.H.
登録日1992-09-17
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of bovine prothrombin fragment 1 refined at 2.25 A resolution.
J.Mol.Biol., 220, 1991
2PUX
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BU of 2pux by Molmil
Crystal structure of murine thrombin in complex with the extracellular fragment of murine PAR3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 3, Thrombin heavy chain, ...
著者Bah, A, Chen, Z, Bush-Pelc, L.A, Mathews, F.S, Di Cera, E.
登録日2007-05-09
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of murine thrombin in complex with the extracellular fragments of murine protease-activated receptors PAR3 and PAR4.
Proc.Natl.Acad.Sci.Usa, 104, 2007

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