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2PW8
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BU of 2pw8 by Molmil
Crystal structure of sulfo-hirudin complexed to thrombin
Descriptor: Hirudin variant-1, NICKEL (II) ION, SODIUM ION, ...
Authors:Liu, C.C, Brustad, E, Liu, W, Schultz, P.G.
Deposit date:2007-05-10
Release date:2007-08-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal structure of a biosynthetic sulfo-hirudin complexed to thrombin.
J.Am.Chem.Soc., 129, 2007
2R2M
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BU of 2r2m by Molmil
2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors
Descriptor: Hirudin-3A, N-[2-({[amino(imino)methyl]amino}oxy)ethyl]-2-{6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl}acetamide, Thrombin heavy chain, ...
Authors:Spurlino, J.
Deposit date:2007-08-27
Release date:2008-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2-(2-Chloro-6-Fluorophenyl)Acetamides as Potent Thrombin Inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
3GIC
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BU of 3gic by Molmil
Structure of thrombin mutant delta(146-149e) in the free form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Thrombin heavy chain, Thrombin light chain
Authors:Bah, A, Carrell, C.J, Chen, Z, Gandhi, P.S, Di Cera, E.
Deposit date:2009-03-05
Release date:2009-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Stabilization of the E* form turns thrombin into an anticoagulant.
J.Biol.Chem., 284, 2009
3GIS
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BU of 3gis by Molmil
Crystal Structure of Na-free Thrombin in Complex with Thrombomodulin
Descriptor: CALCIUM ION, Prothrombin, SULFATE ION, ...
Authors:Adams, T.E, Huntington, J.A.
Deposit date:2009-03-06
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis of thrombomodulin activation of slow thrombin
J.Thromb.Haemost., 7, 2009
3HAT
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BU of 3hat by Molmil
ACTIVE SITE MIMETIC INHIBITION OF THROMBIN
Descriptor: FPAM (FIBRINOPEPTIDE A MIMIC), Hirudin variant-2, Thrombin heavy chain, ...
Authors:Tulinsky, A, Mathews, I.I.
Deposit date:1994-10-16
Release date:1995-02-27
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Active-site mimetic inhibition of thrombin.
Acta Crystallogr.,Sect.D, 51, 1995
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
3HKJ
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BU of 3hkj by Molmil
Crystal structure of human 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 (2.6 Å)
Cite:Mechanism of the Anticoagulant Activity of Thrombin Mutant W215A/E217A.
J.Biol.Chem., 284, 2009
3HTC
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BU of 3htc by Molmil
THE STRUCTURE OF A COMPLEX OF RECOMBINANT HIRUDIN AND HUMAN ALPHA-THROMBIN
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUDIN VARIANT 2
Authors:Tulinsky, A, Rydel, T.J, Ravichandran, K.G, Huber, R, Bode, W.
Deposit date:1993-06-11
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of a complex of recombinant hirudin and human alpha-thrombin.
Science, 249, 1990
3JZ1
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BU of 3jz1 by Molmil
Crystal structure of human thrombin mutant N143P in E:Na+ form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NITRATE ION, ...
Authors:Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E.
Deposit date:2009-09-22
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
3JZ2
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BU of 3jz2 by Molmil
Crystal structure of human thrombin mutant N143P in E* form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Thrombin heavy chain, ...
Authors:Niu, W, Chen, Z, Bush-Pelc, L.A, Bah, A, Gandhi, P.S, Di Cera, E.
Deposit date:2009-09-22
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mutant N143P reveals how Na+ activates thrombin
J.Biol.Chem., 284, 2009
3K65
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BU of 3k65 by Molmil
Crystal Structure of Prethombin-2/Fragment-2 Complex
Descriptor: 1,4-BUTANEDIOL, Prothrombin
Authors:Adams, T.E, Huntington, J.A.
Deposit date:2009-10-08
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural transitions during prothrombin activation: On the importance of fragment 2.
Biochimie, 122, 2016
6YSX
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BU of 6ysx by Molmil
Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ...
Authors:Scanlan, W, Heine, A, Klebe, G, Abazi, N.
Deposit date:2020-04-23
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80)
To be published
6YSJ
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BU of 6ysj by Molmil
Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ...
Authors:Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A.
Deposit date:2020-04-22
Release date:2021-05-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10)
To be published
6ZGO
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BU of 6zgo by Molmil
Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
Descriptor: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Sandner, A, Heine, A, Klebe, G.
Deposit date:2020-06-19
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l)
To be published
6Z48
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BU of 6z48 by Molmil
Crystal structure of Thrombin in complex with macrocycle X1vE
Descriptor: 5-chloranyl-N-[[(4S,15R)-2,5,13,16-tetrakis(oxidanylidene)-15-propan-2-yl-9,10-dithia-3,6,14,17-tetrazabicyclo[17.3.1]tricosa-1(22),19(23),20-trien-4-yl]methyl]thiophene-2-carboxamide, SODIUM ION, Thrombin heavy chain, ...
Authors:Angelini, A, Habeshian, S, Heinis, C, Cendron, L.
Deposit date:2020-05-23
Release date:2022-06-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Synthesis and direct assay of large macrocycle diversities by combinatorial late-stage modification at picomole scale.
Nat Commun, 13, 2022
7A0E
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BU of 7a0e by Molmil
The Crystal Structure of Bovine Thrombin in complex with Hirudin (C6U/C14U) at 1.9 Angstroms Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ...
Authors:Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G.
Deposit date:2020-08-07
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
7A0D
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BU of 7a0d by Molmil
The Crystal Structure of Bovine Thrombin in complex with Hirudin (C16U/C28U) at 1.6 Angstroms Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ...
Authors:Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G.
Deposit date:2020-08-07
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
7A0F
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BU of 7a0f by Molmil
The Crystal Structure of Bovine Thrombin in complex with Hirudin (C22U/C39U) at 2.7 Angstroms Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-1, Prothrombin, ...
Authors:Hidmi, T, Mousa, R, Pomyalov, S, Lansky, S, Khouri, L, Metanis, N, Shoham, G.
Deposit date:2020-08-07
Release date:2021-03-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Diselenide crosslinks for enhanced and simplified oxidative protein folding
Commun Chem, 4, 2021
7AC9
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BU of 7ac9 by Molmil
Thrombin in complex with D-arginine (j77)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-ARGININE, DIMETHYL SULFOXIDE, ...
Authors:Scanlan, W, Heine, A, Klebe, G, Abazi, N.
Deposit date:2020-09-10
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Thrombin in complex with D-arginine (j77)
To be published
6ZV8
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BU of 6zv8 by Molmil
Crystal Structure of Thrombin in complex with compound51
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ...
Authors:Schafer, M.
Deposit date:2020-07-24
Release date:2020-08-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
6ZUH
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BU of 6zuh by Molmil
Crystal Structure of Thrombin in complex with compound17
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin-2, ...
Authors:Schafer, M.
Deposit date:2020-07-22
Release date:2020-08-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
6ZUW
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BU of 6zuw by Molmil
Crystal Structure of Thrombin in complex with compound40
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, Prothrombin, ...
Authors:Schafer, M.
Deposit date:2020-07-23
Release date:2020-08-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020
6ZUG
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BU of 6zug by Molmil
Crystal Structure of Thrombin in complex with compound10
Descriptor: 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin-2, ...
Authors:Schafer, M.
Deposit date:2020-07-22
Release date:2020-08-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.
J.Med.Chem., 63, 2020

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數據於2024-06-12公開中

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