Current Protein Identity：Q13464
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1S1C Crystal structure of the complex between the human RhoA and Rho-binding domain of human ROCKI Deposited 2004-01-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain X
946–1015（70 aa）
Fragment：Rho-binding domain of ROCKI, residues 947-1015
Chain Y
946–1015（70 aa）
Fragment：Rho-binding domain of ROCKI, residues 947-1015
|
Not recorded | MG MAGNESIUM ION × 2 GNP PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
EVAPORATION；pH 7.5；293 K；TRIS, PEG 3350, isopropyl alcohol, pH 7.5, EVAPORATION, temperature 293K
|
Resolution 2.60 Å R-free 0.257 |
| 2ESM Crystal Structure of ROCK 1 bound to fasudil Deposited 2005-10-26 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
Chain B
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
|
Not recorded | M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5.5；298 K；0.45mM protein, 5% PEG3350, 100mM MES, 50mM CaCl2, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.50
|
Resolution 3.20 Å R-free 0.269 |
| 2ETK Crystal Structure of ROCK 1 bound to hydroxyfasudil Deposited 2005-10-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-terminal and kinase domain, residues 6-415
Chain B
6–415（410 aa）
Fragment：N-terminal and kinase domain, residues 6-415
|
Not recorded | HFS 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；4.5% PEG3350, 100mM Mes, pH 5.5, 50mM CaCl2, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.96 Å R-free 0.298 |
| 2ETR Crystal Structure of ROCK I bound to Y-27632 Deposited 2005-10-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-terminal and kinase domain, residues 6-415
Chain B
6–415（410 aa）
Fragment：N-terminal and kinase domain, residues 6-415
|
Not recorded | Y27 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；4.5% PEG3350, 100mM MES, pH 5.5, 50mM CaCl2, 10mM DTT, 0.45 mM protein, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.60 Å R-free 0.266 |
| 2V55 Mechanism of multi-site phosphorylation from a ROCK-I:RhoE complex structure Deposited 2008-10-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–406（406 aa）
Fragment：KINASE DOMAIN, RESIDUES 1-406
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；0.6 - 1 M NA/K TARTRATE, 0.1 M MES [PH 5-6], 0.2 M LISO4
|
Resolution 3.71 Å R-free 0.269 |
| 2V55 Mechanism of multi-site phosphorylation from a ROCK-I:RhoE complex structure Deposited 2008-10-01 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
1–406（406 aa）
Fragment：KINASE DOMAIN, RESIDUES 1-406
|
Not recorded | ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；0.6 - 1 M NA/K TARTRATE, 0.1 M MES [PH 5-6], 0.2 M LISO4
|
Resolution 3.71 Å R-free 0.269 |
| 3D9V CRYSTAL STRUCTURE OF ROCK I BOUND TO H-1152P A DI-METHYLATED VARIANT OF FASUDIL Deposited 2008-05-27 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-terminal and kinase domain, residues 6-415
Chain B
6–415（410 aa）
Fragment：N-terminal and kinase domain, residues 6-415
|
Not recorded | H52 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；4.5% PEG3350, 100mM MES, PH 5.5,0.45mM PROTEIN, 50mM CACL2, 10mM DTT, pH 5.50, vapor diffusion, temperature 298K
|
Resolution 3.30 Å R-free 0.280 |
| 3NCZ X-Ray Co-structure of Rho-Associated Protein Kinase (ROCK1) with a potent 2H-isoquinolin-1-one inhibitor Deposited 2010-06-06 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-TERMINAL AND KINASE DOMAIN, RESIDUES 6-415
Chain B
6–415（410 aa）
Fragment：N-TERMINAL AND KINASE DOMAIN, RESIDUES 6-415
|
Not recorded | 3NC cis-4-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 mM CaCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.00 Å R-free 0.328 |
| 3NCZ X-Ray Co-structure of Rho-Associated Protein Kinase (ROCK1) with a potent 2H-isoquinolin-1-one inhibitor Deposited 2010-06-06 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–415（410 aa）
Fragment：N-TERMINAL AND KINASE DOMAIN, RESIDUES 6-415
Chain D
6–415（410 aa）
Fragment：N-TERMINAL AND KINASE DOMAIN, RESIDUES 6-415
|
Not recorded | 3NC cis-4-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)cyclohexanecarboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 mM CaCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.00 Å R-free 0.328 |
| 3NDM Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative Deposited 2010-06-07 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-TERMINAL AND KINASE DOMAIN, RESIDUES 6-415
Chain B
6–415（410 aa）
Fragment：N-TERMINAL AND KINASE DOMAIN, RESIDUES 6-415
|
Not recorded | 3ND (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 mM CaCl2, pH 6.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 3.30 Å R-free 0.310 |
| 3NDM Crystal structure of Rho-Associated Protein Kinase (ROCK1) with a potent isoquinolone derivative Deposited 2010-06-07 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–415（410 aa）
Fragment：N-TERMINAL AND KINASE DOMAIN, RESIDUES 6-415
Chain D
6–415（410 aa）
Fragment：N-TERMINAL AND KINASE DOMAIN, RESIDUES 6-415
|
Not recorded | 3ND (3S,4R)-N-(7-chloro-1-oxo-1,4-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 mM CaCl2, pH 6.0, vapor diffusion, hanging drop, temperature 298K
|
Resolution 3.30 Å R-free 0.310 |
| 3O0Z Crystal structure of a coiled-coil domain from human ROCK I Deposited 2010-07-20 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
535–700（166 aa）
Fragment：coiled-coil domain (unp residues 535-700)
Chain B
535–700（166 aa）
Fragment：coiled-coil domain (unp residues 535-700)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；13% MPD, 100 mM NaCl, 100 mM sodium acetate, 10 mM DTT, 5% glycerol, 10 mM spermidine, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.33 Å R-free 0.286 |
| 3O0Z Crystal structure of a coiled-coil domain from human ROCK I Deposited 2010-07-20 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
535–700（166 aa）
Fragment：coiled-coil domain (unp residues 535-700)
Chain D
535–700（166 aa）
Fragment：coiled-coil domain (unp residues 535-700)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.9；293 K；13% MPD, 100 mM NaCl, 100 mM sodium acetate, 10 mM DTT, 5% glycerol, 10 mM spermidine, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.33 Å R-free 0.286 |
| 3TV7 Human Rho-associated protein kinase 1 (ROCK 1) in COMPLEX WITH RKI1342 Deposited 2011-09-19 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
Chain B
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
|
Not recorded | 07Q 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea × 2 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；10 mg/ml ROCK1, 75 mm hepes pH 7.4, 2.5 % tacsimate ph 7.4, 5 % PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 292K
|
Resolution 2.75 Å R-free 0.253 |
| 3TV7 Human Rho-associated protein kinase 1 (ROCK 1) in COMPLEX WITH RKI1342 Deposited 2011-09-19 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
Chain D
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
|
Not recorded | 07Q 1-[(1R)-1-(3-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea × 2 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；292 K；10 mg/ml ROCK1, 75 mm hepes pH 7.4, 2.5 % tacsimate ph 7.4, 5 % PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 292K
|
Resolution 2.75 Å R-free 0.253 |
| 3TWJ Rho-associated protein kinase 1 (ROCK 1) IN COMPLEX WITH RKI1447 Deposited 2011-09-21 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
Chain B
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
|
Not recorded | 07R 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea × 1 EDO 1,2-ETHANEDIOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；10 MG/ML ROCK1, 75 MM hepes ph 7.4, 2.5 % tacsimate pH 7.4, 5 % PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.90 Å R-free 0.289 |
| 3TWJ Rho-associated protein kinase 1 (ROCK 1) IN COMPLEX WITH RKI1447 Deposited 2011-09-21 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
Chain D
6–415（410 aa）
Fragment：N-terminal kinase domain, residue 6-415
|
Not recorded | 07R 1-[(3-hydroxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea × 1 EDO 1,2-ETHANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.4；291 K；10 MG/ML ROCK1, 75 MM hepes ph 7.4, 2.5 % tacsimate pH 7.4, 5 % PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.90 Å R-free 0.289 |
| 3V8S Human RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WITH INDAZOLE DERIVATIVE (COMPOUND 18) Deposited 2011-12-23 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：RESIDUE 6-415
Chain B
6–415（410 aa）
Fragment：RESIDUE 6-415
|
Not recorded | 0HD 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；10 MG/ML ROCK1, 25 MM HEPES PH 7.4, 50 MM MES PH 6.5, 2.5% TACSIMATE PH 7.0, 5% PEG 5000 MME, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.29 Å R-free 0.236 |
| 3V8S Human RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WITH INDAZOLE DERIVATIVE (COMPOUND 18) Deposited 2011-12-23 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–415（410 aa）
Fragment：RESIDUE 6-415
Chain D
6–415（410 aa）
Fragment：RESIDUE 6-415
|
Not recorded | 0HD 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；10 MG/ML ROCK1, 25 MM HEPES PH 7.4, 50 MM MES PH 6.5, 2.5% TACSIMATE PH 7.0, 5% PEG 5000 MME, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K
|
Resolution 2.29 Å R-free 0.236 |
| 4L2W Crystal structure of the Shroom-Binding domain of human Rock1 Deposited 2013-06-04 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
834–914（81 aa）
Fragment：Shroom binding Domain (UNP residues 834-914)
Chain D
834–914（81 aa）
Fragment：Shroom binding Domain (UNP residues 834-914)
|
Mutation：E884A, K885A, E886A Mutation：E884A, K885A, E886A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；277 K；0.1M Citrate, 1.0M Ammonium Sulfate, pH 6.0, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.49 Å R-free 0.276 |
| 4L2W Crystal structure of the Shroom-Binding domain of human Rock1 Deposited 2013-06-04 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
834–914（81 aa）
Fragment：Shroom binding Domain (UNP residues 834-914)
Chain B
834–914（81 aa）
Fragment：Shroom binding Domain (UNP residues 834-914)
|
Mutation：E884A, K885A, E886A Mutation：E884A, K885A, E886A | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6；277 K；0.1M Citrate, 1.0M Ammonium Sulfate, pH 6.0, VAPOR DIFFUSION, temperature 277K
|
Resolution 2.49 Å R-free 0.276 |
| 4W7P Crystal Structure of ROCK 1 bound to YB-15-QD37 Deposited 2014-08-22 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–410（409 aa）
Chain B
2–410（409 aa）
|
Not recorded | 3J7 N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MES PH 5.5, 50 mM CACL2, 7% PEG 3350
|
Resolution 2.80 Å R-free 0.246 |
| 4W7P Crystal Structure of ROCK 1 bound to YB-15-QD37 Deposited 2014-08-22 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
2–410（409 aa）
Chain D
2–410（409 aa）
|
Not recorded | 3J7 N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MES PH 5.5, 50 mM CACL2, 7% PEG 3350
|
Resolution 2.80 Å R-free 0.246 |
| 4W7P Crystal Structure of ROCK 1 bound to YB-15-QD37 Deposited 2014-08-22 | Assembly 3 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain A
2–410（409 aa）
Chain B
2–410（409 aa）
Chain C
2–410（409 aa）
Chain D
2–410（409 aa）
|
Not recorded | 3J7 N~1~-[2-(1H-indazol-5-yl)pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M MES PH 5.5, 50 mM CACL2, 7% PEG 3350
|
Resolution 2.80 Å R-free 0.246 |
| 4YVC ROCK 1 bound to thiazole inhibitor Deposited 2015-03-19 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-terminal kinase domain (UNP residues 6-415)
Chain B
6–415（410 aa）
Fragment：N-terminal kinase domain (UNP residues 6-415)
|
Not recorded | 4KH 2-fluoro-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]benzamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.45 mM protein, 5% PEG3350, 100 mM MES, 50 mM calcium chloride, 10 mM DTT
|
Resolution 3.20 Å R-free 0.221 |
| 4YVE ROCK 1 bound to methoxyphenyl thiazole inhibitor Deposited 2015-03-19 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：N-terminal kinase domain (UNP residues 6-415)
Chain B
6–415（410 aa）
Fragment：N-terminal kinase domain (UNP residues 6-415)
|
Not recorded | 4KK 2-(3-methoxyphenyl)-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.45 mM protein, 5% PEG3350, 100 mM MES, 50 mM calcium chloride, 10 mM DTT
|
Resolution 3.40 Å R-free 0.244 |
| 5BML ROCK 1 bound to a pyridine thiazole inhibitor Deposited 2015-05-22 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Chain B
6–415（410 aa）
|
Not recorded | 4TW N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；4.5% PEG3350, 100mM MES, pH 5.5, 50mM CaCl2, 10mM DTT, 0.45 mM protein, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.95 Å R-free 0.235 |
| 5F5P Molecular Basis for Shroom2 Recognition by Rock1 Deposited 2015-12-04 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain C
834–913（80 aa）
Chain D
834–913（80 aa）
|
Not recorded | CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% PEG 3350, 200 mM Magnesium Chloride, 100 mM Tris pH 8.5
|
Resolution 3.57 Å R-free 0.287 |
| 5F5P Molecular Basis for Shroom2 Recognition by Rock1 Deposited 2015-12-04 | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain E
834–913（80 aa）
Chain F
834–913（80 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% PEG 3350, 200 mM Magnesium Chloride, 100 mM Tris pH 8.5
|
Resolution 3.57 Å R-free 0.287 |
| 5HVU Rho-associated protein kinase 1 (ROCK 1) in complex with a pyridine thiazole piperidine inhibitor Deposited 2016-01-28 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Chain B
6–415（410 aa）
|
Not recorded | 65R 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]acetamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；4.5% PEG3350, 100mM MES, pH 5.5, 50mM CaCl2, 10mM DTT, 0.45 mM protein, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.80 Å R-free 0.248 |
| 5KKS ROCK 1 bound to azaindole thiazole inhibitor Deposited 2016-06-22 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Chain B
6–415（410 aa）
|
Not recorded | 6U1 2-[3-(methylsulfonylamino)phenyl]-~{N}-[4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]ethanamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.45 mM protein, 5% PEG3350, 100 mM MES, 50 mM calcium chloride, 10 mM DTT
|
Resolution 3.30 Å R-free 0.254 |
| 5KKT ROCK 1 bound to azaindole thiazole piperazine inhibitor Deposited 2016-06-22 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Chain B
6–415（410 aa）
|
Not recorded | 6U2 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 × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.45 mM protein, 5% PEG3350, 100 mM MES, 50 mM calcium chloride, 10 mM DTT
|
Resolution 2.80 Å R-free 0.237 |
| 5UZJ Crystal Structure of ROCK1 bound to an aminopyridine inhibitor Deposited 2017-02-26 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：kinase domain
Chain B
6–415（410 aa）
Fragment：kinase domain
|
Not recorded | 8UV N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.5；298 K；4.5% PEG3350, 100MM MES, 50MM CACL2, 10MM DTT, 0.45 MM PROTEIN, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
|
Resolution 3.30 Å R-free 0.241 |
| 5WNE X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR Deposited 2017-07-31 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：UNP residues 6-415
Chain B
6–415（410 aa）
Fragment：UNP residues 6-415
|
Not recorded | B4J 3,4-dimethoxy-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide × 2 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 MM CACL2, PH 6.0
|
Resolution 2.60 Å R-free 0.246 |
| 5WNE X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR Deposited 2017-07-31 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–415（410 aa）
Fragment：UNP residues 6-415
Chain D
6–415（410 aa）
Fragment：UNP residues 6-415
|
Not recorded | B4J 3,4-dimethoxy-N-({3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}methyl)benzamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 MM CACL2, PH 6.0
|
Resolution 2.60 Å R-free 0.246 |
| 5WNF X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR Deposited 2017-07-31 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：UNP residues 6-415
Chain B
6–415（410 aa）
Fragment：UNP residues 6-415
|
Not recorded | B4V 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 × 2 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 MM CACL2, PH 6.0
|
Resolution 2.45 Å R-free 0.247 |
| 5WNF X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR Deposited 2017-07-31 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–415（410 aa）
Fragment：UNP residues 6-415
Chain D
6–415（410 aa）
Fragment：UNP residues 6-415
|
Not recorded | B4V 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 × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 MM CACL2, PH 6.0
|
Resolution 2.45 Å R-free 0.247 |
| 5WNG X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR Deposited 2017-07-31 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：UNP residues 6-415
Chain B
6–415（410 aa）
Fragment：UNP residues 6-415
|
Not recorded | B4Y (2R)-N-(3-cyanophenyl)-2-(3-{[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 MM CACL2, PH 6.0
|
Resolution 2.90 Å R-free 0.250 |
| 5WNG X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR Deposited 2017-07-31 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–415（410 aa）
Fragment：UNP residues 6-415
Chain D
6–415（410 aa）
Fragment：UNP residues 6-415
|
Not recorded | B4Y (2R)-N-(3-cyanophenyl)-2-(3-{[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl}phenyl)pyrrolidine-1-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 MM CACL2, PH 6.0
|
Resolution 2.90 Å R-free 0.250 |
| 5WNH X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR Deposited 2017-07-31 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Fragment：UNP residues 6-415
Chain B
6–415（410 aa）
Fragment：UNP residues 6-415
|
Not recorded | B5G (2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 MM CACL2, PH 6.0
|
Resolution 3.10 Å R-free 0.234 |
| 5WNH X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR Deposited 2017-07-31 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–415（410 aa）
Fragment：UNP residues 6-415
Chain D
6–415（410 aa）
Fragment：UNP residues 6-415
|
Not recorded | B5G (2R)-N-(3-cyanophenyl)-2-{3-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl}pyrrolidine-1-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；8.5% PEG3350, 0.1M MES, 50 MM CACL2, PH 6.0
|
Resolution 3.10 Å R-free 0.234 |
| 6E9W Crystal structure of Rock1 with a pyridinylbenzamide based inhibitor Deposited 2018-08-01 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
Chain B
6–415（410 aa）
|
Not recorded | J0P N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide × 2 SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；1-1.5 M lithium sulfate, 0.1 M sodium citrate pH 6.2 to 6.6, 0.5 M ammonium sulfate
|
Resolution 2.96 Å R-free 0.255 |
| 7JOU CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR Deposited 2020-08-07 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
|
Not recorded | VFS N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；NULL
|
Resolution 3.32 Å R-free 0.248 |
| 7S25 ROCK1 IN COMPLEX WITH LIGAND G4998 Deposited 2021-09-03 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
7–402（396 aa）
Fragment：KINASE DOMAIN
Chain B
7–402（396 aa）
Fragment：KINASE DOMAIN
|
Not recorded | CL CHLORIDE ION × 3 86G 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；15-17% PEG 5K MME, 0.1 M HEPES/NaOH pH 7.5, 5% (v/v) tacsimate pH 7.5
|
Resolution 2.34 Å R-free 0.271 |
| 7S25 ROCK1 IN COMPLEX WITH LIGAND G4998 Deposited 2021-09-03 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
7–402（396 aa）
Fragment：KINASE DOMAIN
Chain D
7–402（396 aa）
Fragment：KINASE DOMAIN
|
Not recorded | 86G 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；15-17% PEG 5K MME, 0.1 M HEPES/NaOH pH 7.5, 5% (v/v) tacsimate pH 7.5
|
Resolution 2.34 Å R-free 0.271 |
| 7S26 ROCK1 IN COMPLEX WITH LIGAND G5018 Deposited 2021-09-03 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–402（397 aa）
Fragment：KINASE DOMAIN
Chain B
6–402（397 aa）
Fragment：KINASE DOMAIN
|
Not recorded | EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 86K 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；15-17% PEG 5K MME, 0.1 M HEPES/NaOH pH 7.5, 5% (v/v) tacsimate pH 7.5
|
Resolution 2.74 Å R-free 0.269 |
| 7S26 ROCK1 IN COMPLEX WITH LIGAND G5018 Deposited 2021-09-03 | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
6–402（397 aa）
Fragment：KINASE DOMAIN
Chain D
6–402（397 aa）
Fragment：KINASE DOMAIN
|
Not recorded | 86K 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；15-17% PEG 5K MME, 0.1 M HEPES/NaOH pH 7.5, 5% (v/v) tacsimate pH 7.5
|
Resolution 2.74 Å R-free 0.269 |
| 8P0S Crystal structure HR1 domain of Rho-associated coiled-coil protein kinases (ROCK-HR1) Deposited 2023-05-10 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
420–550（131 aa）
Chain B
420–550（131 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291.15 K；23% PEG 3350, 150 mM Tri-potassium citrate and 4% MPD (2-methyl-2,4-pentanediol)
|
Resolution 2.20 Å R-free 0.293 |
| 8ZH5 The Crystal Structure of the ROCK1 from Biortus. Deposited 2024-05-10 | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
6–415（410 aa）
|
Not recorded | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M MgAC2, 0.1M NaAC pH4.5, 8% PEG 8000, 1.0M NDSB-256
|
Resolution 3.70 Å R-free 0.260 |