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Bong SM
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Homma M
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Iwai K
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Kurasawa O
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Lee BI
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Lee SJ
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Miyazaki T
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Oguro Y
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Ohashi A
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Park TH
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Skene R
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Adam LP
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Hu Z
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Muckelbauer JK
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Quan ML
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Sitkoff D
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Wang C
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Wexler RR
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Cheadle NL
(2)
Glunz PW
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Imada T
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Ishikawa T
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Iwata K
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Mori K
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Nomura T
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Ohori M
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Sugimoto H
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Uchiyama N
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Xu S
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Yamamoto Y
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Accetta A
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Aguirre AL
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Alen J
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Edwards C
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Egan DA
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Facchinetti F
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Freiberg GM
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Harris CM
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Honore MP
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Judge RA
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Kage KL
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Kapecki NJ
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Lee MR
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More...
Homo / hetero assembly
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homo
(16)
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protein structure
(16)
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(2)
monomer
(9)
dimer
(7)
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2.0 - 2.5
(2)
2.5 - 3
(10)
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(2)
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(8)
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(11)
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(6)
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(5)
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(16)
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(16)
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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)
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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)
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(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)
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(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)
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APS
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SPring-8
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Pixel
(11)
CCD
(5)
Refinement software
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REFMAC
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BUSTER
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PHENIX
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Representative Structures
Representative Structures
Entries
Macromolecules
Compounds
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Entries 1 to 10 of 16
Select all entries on this page
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
Assembly name:
Rho-associated protein kinase 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130835 (Preferred)
search this ID

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
Assembly name:
Rho-associated protein kinase 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130836 (Preferred)
search this ID

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
Assembly name:
Rho-associated protein kinase 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130835 (Preferred)
search this ID

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

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
Assembly name:
Rho-associated protein kinase 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130836 (Preferred)
search this ID

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
Assembly name:
Rho-associated protein kinase 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130835 (Preferred)
search this ID

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

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

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
Assembly name:
Rho-associated protein kinase 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130835 (Preferred)
search this ID

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
Assembly name:
Rho-associated protein kinase 2
(Preferred)
search this complex
PDBe complex ID:
PDB-CPX-130835 (Preferred)
search this ID

Entries 1 to 10 of 16