8P0S
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![BU of 8p0s by Molmil](/molmil-images/mine/8p0s) | Crystal structure HR1 domain of Rho-associated coiled-coil protein kinases (ROCK-HR1) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Rho-associated protein kinase 1 | Authors: | Dubey, B.N, Dvorsky, R, Gremer, L, Vetter, I.R, Schmitt, L, Groth, G, Ahmadian, M.R. | Deposit date: | 2023-05-10 | Release date: | 2023-06-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional insights into the p160 Rho-associated coiled-coil-containing protein kinase To Be Published
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3V8S
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3O0Z
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7S25
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![BU of 7s25 by Molmil](/molmil-images/mine/7s25) | ROCK1 IN COMPLEX WITH LIGAND G4998 | Descriptor: | 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, CHLORIDE ION, Rho-associated protein kinase 1 | Authors: | Ganichkin, O, Harris, S.F, Steinbacher, S. | Deposit date: | 2021-09-03 | Release date: | 2022-10-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.337 Å) | Cite: | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13, 2022
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5WNF
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![BU of 5wnf by Molmil](/molmil-images/mine/5wnf) | X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR | Descriptor: | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)-1H-1,2,3-triazole-4-carboxamide, GLYCEROL, Rho-associated protein kinase 1 | Authors: | Li, X. | Deposit date: | 2017-07-31 | Release date: | 2018-08-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Novel mechanism of Rho kinase selectivity: beyond the ATP pocket To Be Published
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4L2W
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5WNE
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2ETR
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![BU of 2etr by Molmil](/molmil-images/mine/2etr) | 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
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1S1C
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![BU of 1s1c by Molmil](/molmil-images/mine/1s1c) | Crystal structure of the complex between the human RhoA and Rho-binding domain of human ROCKI | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Rho-associated, ... | Authors: | Dvorsky, R, Blumenstein, L, Vetter, I.R, Ahmadian, M.R. | Deposit date: | 2004-01-06 | Release date: | 2004-02-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights into the Interaction of ROCKI with the Switch Regions of RhoA. J.Biol.Chem., 279, 2004
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7S26
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![BU of 7s26 by Molmil](/molmil-images/mine/7s26) | ROCK1 IN COMPLEX WITH LIGAND G5018 | Descriptor: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Rho-associated protein kinase 1 | Authors: | Ganichkin, O, Harris, S.F, Steinbacher, S. | Deposit date: | 2021-09-03 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.744 Å) | Cite: | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13, 2022
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3TV7
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![BU of 3tv7 by Molmil](/molmil-images/mine/3tv7) | Human Rho-associated protein kinase 1 (ROCK 1) in COMPLEX WITH RKI1342 | Descriptor: | 1,2-ETHANEDIOL, 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea, Rho-associated protein kinase 1 | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-09-19 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2). Medchemcomm, 3, 2012
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4W7P
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![BU of 4w7p by Molmil](/molmil-images/mine/4w7p) | Crystal Structure of ROCK 1 bound to YB-15-QD37 | Descriptor: | N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine, Rho-associated protein kinase 1 | Authors: | Sprague, E.R. | Deposit date: | 2014-08-22 | Release date: | 2014-10-15 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. Bioorg.Med.Chem.Lett., 24, 2014
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5KKT
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![BU of 5kkt by Molmil](/molmil-images/mine/5kkt) | ROCK 1 bound to azaindole thiazole piperazine inhibitor | Descriptor: | 2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2016-06-22 | Release date: | 2017-06-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors Bioorg.Med.Chem.Lett., 2018
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5HVU
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![BU of 5hvu by Molmil](/molmil-images/mine/5hvu) | |
3TWJ
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![BU of 3twj by Molmil](/molmil-images/mine/3twj) | Rho-associated protein kinase 1 (ROCK 1) IN COMPLEX WITH RKI1447 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea, Rho-associated protein kinase 1 | Authors: | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2011-09-21 | Release date: | 2012-08-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | RKI-1447 Is a Potent Inhibitor of the Rho-Associated ROCK Kinases with Anti-Invasive and Antitumor Activities in Breast Cancer. Cancer Res., 72, 2012
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5WNG
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5BML
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![BU of 5bml by Molmil](/molmil-images/mine/5bml) | 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
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2ETK
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![BU of 2etk by Molmil](/molmil-images/mine/2etk) | 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
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6E9W
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![BU of 6e9w by Molmil](/molmil-images/mine/6e9w) | Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor | Descriptor: | N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 1, SULFATE ION | Authors: | Judge, R.A, Hobson, A.D. | Deposit date: | 2018-08-01 | Release date: | 2018-11-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design. J. Med. Chem., 61, 2018
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3NCZ
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![BU of 3ncz by Molmil](/molmil-images/mine/3ncz) | |
5WNH
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2ESM
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![BU of 2esm by Molmil](/molmil-images/mine/2esm) | 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
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4YVC
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![BU of 4yvc by Molmil](/molmil-images/mine/4yvc) | 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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5KKS
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![BU of 5kks by Molmil](/molmil-images/mine/5kks) | ROCK 1 bound to azaindole thiazole inhibitor | Descriptor: | 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2016-06-22 | Release date: | 2017-06-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors Bioorg.Med.Chem.Lett., 2018
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5UZJ
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![BU of 5uzj by Molmil](/molmil-images/mine/5uzj) | Crystal Structure of ROCK1 bound to an aminopyridine inhibitor | Descriptor: | N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1 | Authors: | Jacobs, M.D. | Deposit date: | 2017-02-26 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
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