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1PVJ
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BU of 1pvj by Molmil
Crystal structure of the Streptococcal pyrogenic exotoxin B (SpeB)- inhibitor complex
Descriptor: (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-2-OXO-4-PHENYLBUTANE-1-DIAZONIUM, pyrogenic exotoxin B
Authors:Ziomek, E, Sivaraman, J, Doran, J, Menard, R, Cygler, M.
Deposit date:2003-06-27
Release date:2004-09-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of autoprocessing of the streptococcal pyrogenic exotoxin B (speB). Crystal structure of the proenzyme-inhibitor complex
To be published
1RSE
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BU of 1rse by Molmil
MYOGLOBIN (HORSE HEART) MUTANT WITH SER 92 REPLACED BY ASP (S92D)
Descriptor: HORSE HEART MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Burk, D.L, Brayer, G.D.
Deposit date:1996-06-20
Release date:1996-12-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Electrostatic modification of the active site of myoglobin: characterization of the proximal Ser92Asp variant.
Biochemistry, 35, 1996
2ESM
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BU of 2esm by Molmil
Crystal Structure of ROCK 1 bound to fasudil
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, Rho-associated protein kinase 1
Authors:Jacobs, M.
Deposit date:2005-10-26
Release date:2005-11-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Structure of Dimeric ROCK I Reveals the Mechanism for Ligand Selectivity.
J.Biol.Chem., 281, 2006
2ETK
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BU of 2etk by Molmil
Crystal Structure of ROCK 1 bound to hydroxyfasudil
Descriptor: 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE, Rho-associated protein kinase 1
Authors:Jacobs, M.
Deposit date:2005-10-27
Release date:2005-11-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:The Structure of Dimeric ROCK I Reveals the Mechanism for Ligand Selectivity.
J.Biol.Chem., 281, 2006
2ETR
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BU of 2etr by Molmil
Crystal Structure of ROCK I bound to Y-27632
Descriptor: (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, Rho-associated protein kinase 1
Authors:Jacobs, M.
Deposit date:2005-10-27
Release date:2005-11-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structure of Dimeric ROCK I Reveals the Mechanism for Ligand Selectivity.
J.Biol.Chem., 281, 2006
2ERZ
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BU of 2erz by Molmil
Crystal Structure of c-AMP Dependent Kinase (PKA) bound to hydroxyfasudil
Descriptor: 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Jacobs, M.
Deposit date:2005-10-25
Release date:2005-11-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of Dimeric ROCK I Reveals the Mechanism for Ligand Selectivity.
J.Biol.Chem., 281, 2006
5BML
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BU of 5bml by Molmil
ROCK 1 bound to a pyridine thiazole inhibitor
Descriptor: N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1
Authors:Jacobs, M.D.
Deposit date:2015-05-22
Release date:2015-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
3D9V
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BU of 3d9v by Molmil
CRYSTAL STRUCTURE OF ROCK I BOUND TO H-1152P A DI-METHYLATED VARIANT OF FASUDIL
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, Rho-associated protein kinase 1
Authors:Jacobs, M.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The structure of dimeric ROCK I reveals the mechanism for ligand selectivity.
J.Biol.Chem., 281, 2006
4YVE
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ROCK 1 bound to methoxyphenyl thiazole inhibitor
Descriptor: 2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide, Rho-associated protein kinase 1
Authors:Jacobs, M.D.
Deposit date:2015-03-19
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
4YVC
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BU of 4yvc by Molmil
ROCK 1 bound to thiazole inhibitor
Descriptor: 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide, Rho-associated protein kinase 1
Authors:Jacobs, M.D.
Deposit date:2015-03-19
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015

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