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3DT0
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BU of 3dt0 by Molmil
Understanding Thrombin Inhibition
Descriptor: Hirudin variant-1, N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide, SODIUM ION, ...
Authors:Baum, B, Heine, A, Klebe, G.
Deposit date:2008-07-14
Release date:2009-06-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
Authors:Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A.
Deposit date:2013-11-28
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: (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, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
4BOH
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BU of 4boh by Molmil
Madanins (MEROPS I53) are cleaved by thrombin and factor Xa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, SULFATE ION, ...
Authors:Figueiredo, A.C, deSanctis, D, Pereira, P.J.B.
Deposit date:2013-05-20
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.595 Å)
Cite: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
Descriptor: 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, ...
Authors:Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F.
Deposit date:2012-01-31
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: (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, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite: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
Descriptor: ACETATE ION, CALCIUM ION, Glia-derived nexin, ...
Authors:Huntington, J.A, Li, W.
Deposit date:2012-02-28
Release date:2012-08-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Boophilin, PHOSPHATE ION, ...
Authors:Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
Deposit date:2006-12-27
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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.
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
2OCV
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BU of 2ocv by Molmil
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
4AYY
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BU of 4ayy by Molmil
Human thrombin - inhibitor complex
Descriptor: (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', ...
Authors:Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K.
Deposit date:2012-06-22
Release date:2012-08-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: (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, ...
Authors:Xue, Y, Musil, D.
Deposit date:2012-09-14
Release date:2013-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors.
Biochemistry, 52, 2013
2PF2
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BU of 2pf2 by Molmil
THE CA+2 ION AND MEMBRANE BINDING STRUCTURE OF THE GLA DOMAIN OF CA-PROTHROMBIN FRAGMENT 1
Descriptor: CALCIUM ION, PROTHROMBIN FRAGMENT 1
Authors:Soriano-Garcia, M, Padmanabhan, K, De vos, A.M, Tulinsky, A.
Deposit date:1991-12-08
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
Authors:Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
Deposit date:2012-03-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.304 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Salivary anti-thrombin peptide anophelin, ...
Authors:Figueiredo, A.C, de Sanctis, D, Gutierrez-Gallego, R, Cereija, T.B, Macedo-Ribeiro, S, Fuentes-Prior, P, Pereira, P.J.B.
Deposit date:2012-03-02
Release date:2012-12-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.196 Å)
Cite: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
Descriptor: 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, ...
Authors:Ruehmann, E, Heine, A, Klebe, G.
Deposit date:2012-03-19
Release date:2012-06-20
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
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
2PKS
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BU of 2pks by Molmil
Thrombin in complex with inhibitor
Descriptor: 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE, Hirudin, SODIUM ION, ...
Authors:Xue, Y.
Deposit date:2007-04-18
Release date:2008-04-22
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ...
Authors:Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A.
Deposit date:2013-11-29
Release date:2013-12-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 4, Thrombin heavy chain, ...
Authors:Bah, A, Chen, Z, Bush-Pelc, L.A, Mathews, F.S, Di Cera, E.
Deposit date:2007-05-09
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
Authors:Pozzi, N, Barranco-Medina, S, Chen, Z, Di Cera, E.
Deposit date:2012-02-20
Release date:2012-05-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
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
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
Descriptor: 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, ...
Authors:Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F.
Deposit date:2012-01-31
Release date:2012-07-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: PROTHROMBIN FRAGMENT 1
Authors:Seshadri, T.P, Tulinsky, A, Skrzypczak-Jankun, E, Park, C.H.
Deposit date:1992-09-17
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 3, Thrombin heavy chain, ...
Authors:Bah, A, Chen, Z, Bush-Pelc, L.A, Mathews, F.S, Di Cera, E.
Deposit date:2007-05-09
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite: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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