Uniprot accession / id : P70336  OR   Uniprot accession / id : O75116  OR   Uniprot accession / id : C9JFJ0
 
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Entry Information
Entry status  (1)
REL
(16)
 
Experimental methods  (1)
X-ray diffraction
(16)
 
Authors  (150)
Bong SM
(4)
Cho N
(4)
Hara H
(4)
Hoffman I
(4)
Hoffman ID
(4)
Homma M
(4)
Iwai K
(4)
Kurasawa O
(4)
Lee BI
(4)
Lee SJ
(4)
Miyazaki T
(4)
Oguro Y
(4)
Ohashi A
(4)
Park TH
(4)
Skene R
(4)
Adam LP
(3)
Hu Z
(3)
Muckelbauer JK
(3)
Quan ML
(3)
Sitkoff D
(3)
Skene RJ
(3)
Wang C
(3)
Wexler RR
(3)
Cheadle NL
(2)
Glunz PW
(2)
Imada T
(2)
Ishikawa T
(2)
Iwata K
(2)
Mori K
(2)
Nomura T
(2)
Ohori M
(2)
Sugimoto H
(2)
Uchiyama N
(2)
Xu S
(2)
Yamamoto Y
(2)
Yoshida S
(2)
Accetta A
(1)
Aguirre AL
(1)
Akama T
(1)
Alen J
(1)
Augustin M
(1)
Barnes M
(1)
Beaumont V
(1)
Boland S
(1)
Boumans N
(1)
Bourin A
(1)
Brown BS
(1)
Bu W
(1)
Cachope R
(1)
Castermans K
(1)
Chauhan A
(1)
Chen AY
(1)
Chen XQ
(1)
Clark D
(1)
Cui Y
(1)
Defert O
(1)
DiGiammarino E
(1)
Ding P
(1)
Dominguez C
(1)
Dominguez E
(1)
Dong C
(1)
Edwards C
(1)
Egan DA
(1)
Facchinetti F
(1)
Fan XQ
(1)
Fransen S
(1)
Freiberg GM
(1)
Freund Y
(1)
Gallati C
(1)
Geraets J
(1)
Gopalakrishnan SM
(1)
Guarino VR
(1)
Harris CM
(1)
Haughan AF
(1)
Hennan J
(1)
Hobson AD
(1)
Honore MP
(1)
Jarnagin K
(1)
Judge RA
(1)
Kage KL
(1)
Kapecki NJ
(1)
Kempf G
(1)
Kindt N
(1)
Krapp S
(1)
Ladduwahetty T
(1)
Lee MR
(1)
Leysen D
(1)
Li J
(1)
Ling C
(1)
Liu L
(1)
Luckhurst CA
(1)
Ma J
(1)
Mack H
(1)
Maillard MC
(1)
Malysa P
(1)
Mamo M
(1)
Matthews K
(1)
Maurus S
(1)
McAllister G
(1)
McRae B
(1)
 
More...
 
Homo / hetero assembly  (1)
homo
(16)
 
Assembly composition  (1)
protein structure
(16)
 
Assembly polymer count  (2)
monomer
(9)
dimer
(7)
 
Resolution distribution
2.0 - 2.5
(2)
2.5 - 3
(10)
3.0 - 3.5
(4)
 
Release year distribution
2010 - 2015
(2)
2015 - 2020
(8)
2020 - 2025
(11)
 
Journal  (6)
J Med Chem
(5)
To be published
(4)
Bioorg Med Chem Lett
(3)
Bioorg Med Chem
(2)
J Pharmacol Exp Ther
(1)
RSC Med Chem
(1)
 
Macromolecules
Organism superkingdom  (1)
Eukaryota
(16)
 
Organism name  (1)
Homo sapiens
(16)
 
Molecule name  (6)
ROCK-II
(16)
Rho kinase 2
(16)
Rho-associated protein kinase 2
(16)
Rho-associated, coiled-coil-containing protein kinase 2
(16)
Rho-associated, coiled-coil-containing protein kinase II
(16)
p164 ROCK-2
(16)
 
Molecule type  (1)
Protein
(16)
 
Gene names  (2)
KIAA0619
(16)
ROCK2
(16)
 
Interacting ligands  (18)
SO4 : SULFATE ION
(4)
MES : 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
(2)
1WU : 6-[4-(aminomethyl)-2-fluorophenoxy]-2,1-benzoxaborol-1(3H)-ol
(1)
3SG : methyl 3-[({2'-(aminomethyl)-5'-[(3-fluoropyridin-4-yl)carbamoyl]biphenyl-3-yl}carbonyl)amino]-4-fluorobenzoate
(1)
5YS : ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide
(1)
81G : (1s,4s)-4-(4-fluorophenyl)-4-hydroxy-6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro[cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one
(1)
A1H6L : 8-(azaindolyl)-benzoazepinone
(1)
EDO : 1,2-ETHANEDIOL
(1)
J0P : N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide
(1)
O1S : 6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
(1)
O1V : 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one
(1)
VFA : N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
(1)
VFS : N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
(1)
YDW : ~{N}-methyl-3-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
(1)
YEA : 3-fluoranyl-~{N}-methyl-5-[[1-oxidanylidene-6-[5-(trifluoromethyl)-1~{H}-pyrazol-4-yl]isoquinolin-2-yl]methyl]benzamide
(1)
YEI : ~{N}-methyl-3-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
(1)
YEW : ~{N}-methyl-3-[[6-(2-methylpyrazol-3-yl)-1-oxidanylidene-isoquinolin-2-yl]methyl]benzamide
(1)
Z8O : 4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one
(1)
 
Function and Biology
EC number / name  (1)
2.7.11.1 : Non-specific serine/threonine protein kinase
(16)
 
Biological function  (3)
ATP binding
(16)
protein kinase activity
(16)
protein serine/threonine kinase activity
(16)
 
Biological process  (1)
protein phosphorylation
(16)
 
Sequence and Structure classification
CATH class  (2)
Alpha Beta
(4)
Mainly Alpha
(4)
 
CATH topology  (2)
Phosphorylase Kinase; domain 1
(4)
Transferase(Phosphotransferase); domain 1
(4)
 
Pfam accession / name  (1)
PF00069 : Pkinase
(16)
 
Experimental Information
Diffraction protocol  (1)
Single wavelength
(16)
 
Diffraction radiation source type  (1)
Synchrotron
(16)
 
Diffraction source  (8)
ALS BEAMLINE 5.0.3
(3)
PAL/PLS BEAMLINE 11C
(3)
SLS BEAMLINE X06SA
(3)
SLS BEAMLINE X10SA
(3)
ALS BEAMLINE 5.0.2
(1)
APS BEAMLINE 21-ID-G
(1)
SLS BEAMLINE X06DA
(1)
SPRING-8 BEAMLINE BL44XU
(1)
 
Synchrotron site  (5)
SLS
(7)
ALS
(4)
PAL/PLS
(3)
APS
(1)
SPring-8
(1)
 
Diffraction detector type  (2)
Pixel
(11)
CCD
(5)
 
Refinement software  (3)
REFMAC
(8)
BUSTER
(4)
PHENIX
(4)
 
Representative Structures
Representative Structures
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Entries 1 to 10 of 16
Entries 1 to 10 of 16
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CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH 4-(4-(2-(2,3-DIHYDRO-1H- INDOL-1-YL)-2-OXOETHYL)PHENYL)-1(2H)-PHTHALAZINONE
Muckelbauer JK
Bioorg Med Chem Lett (2023) [PMID: 37119973  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: SO4    Z8O    Z8O   
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130835 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
2.71Å resolution
Released: 10 May 2023
Model geometry
Fit model/data
8gds
8gds
8gds
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR
Muckelbauer JK
Bioorg Med Chem Lett (2020) [PMID: 32805407  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: MES    VFA    CL    VFA   
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130836 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
2.214Å resolution
Released: 2 Sep 2020
Model geometry
Fit model/data
7jnt
7jnt
7jnt
Discovery of a Novel, Highly Potent, and Selective Thieno[3,2-d]pyrimidinone-Based Cdc7 inhibitor with a Quinuclidine Moiety (TAK-931) as an Orally Active Investigational Anti-Tumor Agent
Hoffman ID, Skene RJ
J Med Chem (2020) [PMID: 31895562  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: O1V    O1V   
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130835 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
3.3Å resolution
Released: 15 Jan 2020
Model geometry
Data not analysed
Fit model/data
Data not analysed
6p5p
6p5p
6p5p
Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
Hoffman ID
Bioorg Med Chem (2017) [PMID: 28284870  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130835 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
3.15Å resolution
Released: 29 Mar 2017
Model geometry
Fit model/data
5u7q
5u7q
5u7q
Identification of A New Class of Potent Cdc7 Inhibitors Designed by Putative Pharmacophore Model: Synthesis and Biological Evaluation of 2,3-Dihydrothieno[3,2-d]pyrimidin-4(1H)-ones
Hoffman ID, Skene RJ
Bioorg Med Chem (2017) [PMID: 28284870  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: 81G    81G   
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130836 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
3.33Å resolution
Released: 29 Mar 2017
Model geometry
Fit model/data
5u7r
5u7r
5u7r
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
Judge RA, Hobson AD
J Med Chem (2018) [PMID: 30384606  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: J0P    J0P   
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130835 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
2.86Å resolution
Released: 14 Nov 2018
Model geometry
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6ed6
6ed6
6ed6
ROCK2 IN COMPLEX WITH COMPOUND 12
Maillard MC
J Med Chem (2022) [PMID: 35816678  ]
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: 5YS   
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130836 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
3Å resolution
Released: 27 Jul 2022
Model geometry
Fit model/data
7p6n
7p6n
7p6n
Crystal structure of ROCK2 with GNS-2660 inhibitor
Park TH, Bong SM, Lee SJ, Lee BI
To be published
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: YEA   
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130835 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
3.2Å resolution
Released: 4 Dec 2024
Model geometry
Fit model/data
8x8y
8x8y
8x8y
Crystal structure of ROCK2 with GNS-2591 inhibitor
Park TH, Bong SM, Lee SJ, Lee BI
To be published
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: SO4    YDW   
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130835 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
2.6Å resolution
Released: 4 Dec 2024
Model geometry
Fit model/data
8x8x
8x8x
8x8x
Crystal structure of ROCK2 with GNS-2666 inhibitor
Park TH, Bong SM, Lee SJ, Lee BI
To be published
Source organism: Homo sapiens  
Assembly composition: protein only structure
Bound ligands: SO4    YEW   
Assembly name: Rho-associated protein kinase 2 (Preferred)   search this complex
PDBe complex ID: PDB-CPX-130835 (Preferred)   search this ID
PDBe-KB: O75116   
X-ray diffraction
2.2Å resolution
Released: 4 Dec 2024
Model geometry
Fit model/data
8x92
8x92
8x92
Entries 1 to 10 of 16
Entries 1 to 10 of 16