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PDB: 474 results

6P9U
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BU of 6p9u by Molmil
Crystal structure of human thrombin mutant W215A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin, ZINC ION
Authors:Pelc, L.A, Koester, S.K, Chen, Z, Di Cera, E.
Deposit date:2019-06-10
Release date:2019-09-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Residues W215, E217 and E192 control the allosteric E*-E equilibrium of thrombin.
Sci Rep, 9, 2019
6EVV
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BU of 6evv by Molmil
X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions.
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Troisi, R, Russo Krauss, I, Sica, F.
Deposit date:2017-11-02
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer.
Nucleic Acids Res., 46, 2018
8KME
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CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2770.
Descriptor: N-ACETYLHIRUDIN, SEL2770, SODIUM ION, ...
Authors:Mochalkin, I, Tulinsky, A.
Deposit date:1999-03-21
Release date:1999-03-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of thrombin retro-inhibited with SEL2711 and SEL2770 as they relate to factor Xa binding.
Acta Crystallogr.,Sect.D, 55, 1999
3EDX
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BU of 3edx by Molmil
Crystal structure of the W215A/E217A mutant of murine thrombin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Thrombin heavy chain, ...
Authors:Gandhi, P.S, Page, M.J, Chen, Z, Bush-pelc, L, Di Cera, E.
Deposit date:2008-09-03
Release date:2009-07-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Basis for the Kinetic Differences of the W215A/E217A Mutant of Human and Murine Thrombin
To be Published
5TO3
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Crystal structure of thrombin mutant W215A/E217A fused to EGF456 of thrombomodulin via a 31-residue linker and bound to PPACK
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]beta-D-mannopyranose-(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, ...
Authors:Barranco-Medina, S, Murphy, M, Pelc, L, Chen, Z, Di Cera, E, Pozzi, N.
Deposit date:2016-10-16
Release date:2017-03-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Rational Design of Protein C Activators.
Sci Rep, 7, 2017
7SR9
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Human alpha-thrombin with 180- and 220- loops replaced with homologous loops from protein C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Di Cera, E, Ruben, E.A, Chen, Z.
Deposit date:2021-11-08
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The active site region plays a critical role in Na + binding to thrombin.
J.Biol.Chem., 298, 2022
3LU9
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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
8TQS
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BU of 8tqs by Molmil
Complex of human thrombin (S195A) bound to a bivalent inhibitor comprised of DNA Aptamer HD22 conjugated to Dabigatran with a linker.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (30-MER), ...
Authors:Krishnaswamy, S, Kumar, S.
Deposit date:2023-08-08
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Aptameric hirudins as selective and reversible EXosite-ACTive site (EXACT) inhibitors.
Nat Commun, 15, 2024
8UF7
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BU of 8uf7 by Molmil
Cryo-EM structure of POmAb, a Type-I anti-prothrombin antiphospholipid antibody, bound to kringle-1 of human prothrombin
Descriptor: POmAb Heavy Chain, POmAb Light Chain, Prothrombin
Authors:Kumar, S, Summers, B, Basore, K, Pozzi, N.
Deposit date:2023-10-03
Release date:2024-02-14
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure and functional basis of prothrombin recognition by a type I antiprothrombin antiphospholipid antibody.
Blood, 143, 2024
7KME
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BU of 7kme by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2711.
Descriptor: HIRUGEN, SEL2711, SODIUM ION, ...
Authors:Mochalkin, I, Tulinsky, A.
Deposit date:1999-02-26
Release date:1999-03-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of thrombin retro-inhibited with SEL2711 and SEL2770 as they relate to factor Xa binding.
Acta Crystallogr.,Sect.D, 55, 1999
5GDS
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BU of 5gds by Molmil
HIRUNORMS ARE TRUE HIRUDIN MIMETICS. THE CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN:HIRUNORM V COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUNORM V
Authors:De Simone, G, Lombardi, A, Galdiero, S, Nastri, F, Della Morte, R, Staiano, N, Pedone, C, Bolognesi, M, Pavone, V.
Deposit date:1997-07-17
Release date:1998-01-21
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex.
Protein Sci., 7, 1998
5NHU
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BU of 5nhu by Molmil
HUMAN ALPHA THROMBIN COMPLEXED WITH ANOPHELES GAMBIAE cE5 ANTICOAGULANT
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AGAP008004-PA, Prothrombin, ...
Authors:Ripoll-Rozada, J, Pereira, P.J.B.
Deposit date:2017-03-22
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Functional analyses yield detailed insight into the mechanism of thrombin inhibition by the antihemostatic salivary protein cE5 from Anopheles gambiae.
J. Biol. Chem., 292, 2017
5Z5W
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VFR12 in complex with LPS micelles
Descriptor: Peptide from Prothrombin
Authors:Saravanan, R, Schmidtchen, A.
Deposit date:2018-01-21
Release date:2018-03-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides.
Nat Commun, 9, 2018
5GIM
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BU of 5gim by Molmil
Crystal structure of thrombin-avathrin complex
Descriptor: C-terminal peptide from Putative uncharacterized protein avahiru, N-terminal peptide from Putative uncharacterized protein avahiru, Thrombin light chain, ...
Authors:Kini, R.M, Koh, C.Y, Iyer, J.K, Swaminathan, K.
Deposit date:2016-06-24
Release date:2017-05-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Avathrin: a novel thrombin inhibitor derived from a multicopy precursor in the salivary glands of the ixodid tick, Amblyomma variegatum.
FASEB J., 31, 2017
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
5JDU
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BU of 5jdu by Molmil
Crystal structure for human thrombin mutant D189A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Pozzi, N, Chen, Z, Di Cera, E.
Deposit date:2016-04-17
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Loop Electrostatics Asymmetry Modulates the Preexisting Conformational Equilibrium in Thrombin.
Biochemistry, 55, 2016
3HK3
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BU of 3hk3 by Molmil
Crystal structure of murine thrombin mutant W215A/E217A (one molecule in the asymmetric unit)
Descriptor: Thrombin heavy chain, Thrombin light chain
Authors:Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E.
Deposit date:2009-05-22
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A.
J.Biol.Chem., 284, 2009
3HK6
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BU of 3hk6 by Molmil
Crystal structure of murine thrombin mutant W215A/E217A (two molecules in the asymmetric unit)
Descriptor: Thrombin heavy chain, Thrombin light chain
Authors:Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E.
Deposit date:2009-05-22
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A.
J.Biol.Chem., 284, 2009
3HKI
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BU of 3hki by Molmil
Crystal structure of murine thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Proteinase-activated receptor 1, Thrombin heavy chain, ...
Authors:Gandhi, P.S, Page, M.J, Chen, Z, Bush-Pelc, L, Di Cera, E.
Deposit date:2009-05-23
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A.
J.Biol.Chem., 284, 2009
5Z5X
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HVF18 in complex with LPS micelles
Descriptor: Peptide from Prothrombin
Authors:Saravanan, R, Schmidtchen, A.
Deposit date:2018-01-21
Release date:2018-03-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for endotoxin neutralisation and anti-inflammatory activity of thrombin-derived C-terminal peptides.
Nat Commun, 9, 2018
7NTU
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BU of 7ntu by Molmil
X-ray structure of the complex between human alpha thrombin and two duplex/quadruplex aptamers: NU172 and HD22_27mer
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, HD22_27mer, ...
Authors:Troisi, R, Santamaria, A, Sica, F.
Deposit date:2021-03-10
Release date:2021-04-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human alpha-thrombin.
Int.J.Biol.Macromol., 181, 2021
6BJR
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BU of 6bjr by Molmil
Crystal structure of prothrombin mutant S101C/A470C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ...
Authors:Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N.
Deposit date:2017-11-06
Release date:2018-06-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structure of prothrombin in the closed form reveals new details on the mechanism of activation.
Sci Rep, 8, 2018
2A2X
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Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12
Descriptor: N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE, Thrombin heavy chain, Thrombin light chain, ...
Authors:Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W.
Deposit date:2005-06-23
Release date:2006-11-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety
BIOORG.MED.CHEM.LETT., 16, 2006
1HAI
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BU of 1hai by Molmil
THE ISOMORPHOUS STRUCTURES OF PRETHROMBIN2, HIRUGEN-AND PPACK-THROMBIN: CHANGES ACCOMPANYING ACTIVATION AND EXOSITE BINDING TO THROMBIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:Tulinsky, A, Vijayalakshmi, J.
Deposit date:1994-06-27
Release date:1994-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The isomorphous structures of prethrombin2, hirugen-, and PPACK-thrombin: changes accompanying activation and exosite binding to thrombin.
Protein Sci., 3, 1994
1QUR
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HUMAN ALPHA-THROMBIN IN COMPLEX WITH BIVALENT, BENZAMIDINE-BASED SYNTHETIC INHIBITOR
Descriptor: BIVALENT INHIBITOR (BZA-2 HIRULOG), HUMAN THROMBIN (ALPHA CHAIN), HUMAN THROMBIN (BETA CHAIN)
Authors:Renatus, M, Steinmetzer, T.
Deposit date:1999-07-02
Release date:1999-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and evaluation of novel bivalent thrombin inhibitors based on amidinophenylalanines.
Eur.J.Biochem., 265, 1999

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