cAMP-dependent protein kinase catalytic subunit alpha
Cricetulus griseus
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 1–351 | Non-standard monomer：Yes (specific site not provided by mmCIF) | cAMP-dependent protein kinase inhibitor alpha × 1 （P63248） 1LQ quinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 Mega 8, 10mM quinazolin-4-amine in DMSO, 0.5 mM PKI (5-24) and 22 % methanol (v/v)0.003 mL drop volume, 0.5 mL reservoir volume | Resolution 1.71 Å R-free 0.212 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 6Y0B | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 4WIH Crystal structure of cAMP-dependent Protein Kinase A from Cricetulus griseus Deposited 2014-09-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
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；pH 6.5；277 K；Reservoir: 20-25% Methanol
Drop: 25mM MesBisTris buffer pH6.5, 50mM LiCl, 1mM PKI, 0.35mM PKA
|
Resolution 1.14 Å R-free 0.191 |
| 5LCP Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77) Deposited 2016-06-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 MOH METHANOL × 5 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.43 Å R-free 0.166 |
| 5LCQ Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative (Ligand 05) Deposited 2016-06-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 6TV ~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 MOH METHANOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.42 Å R-free 0.171 |
| 5LCR Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative (Ligand 04) Deposited 2016-06-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 6TX 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 MOH METHANOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (100 mM Stock)
Reservoir: 14% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.56 Å R-free 0.197 |
| 5LCT Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a R-methyl-piperazine substituted Fasudil-derivative (Ligand 02) Deposited 2016-06-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 6TY 5-[(2~{R})-2-methylpiperazin-1-yl]sulfonylisoquinoline × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 MOH METHANOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 19% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.61 Å R-free 0.174 |
| 5LCU Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a S-methyl-piperazine substituted Fasudil-derivative (Ligand 01) Deposited 2016-06-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IQP 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE × 1 MOH METHANOL × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 16% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.58 Å R-free 0.192 |
| 5M0B Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a short-chained N-(2-aminoethyl)isoquinoline-5-sulfonamide) Fasudil-derivative (Ligand 03) Deposited 2016-10-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IQU N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 MOH METHANOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.51 Å R-free 0.159 |
| 5M0C Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the Fasudil-fragment isoquinoline-5-sulfonamide Deposited 2016-10-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7CB isoquinoline-5-sulfonamide × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
0.12 mM ligand solved in DMSO (100 mM Stock)
Reservoir: 14% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.73 Å R-free 0.200 |
| 5M0L Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (Ligand 02) Deposited 2016-10-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7CT ~{N}-methylisoquinoline-5-sulfonamide × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (100 mM Stock)
Reservoir: 16% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.47 Å R-free 0.173 |
| 5M0U Apostructure structure of cAMP-dependent Protein Kinase (PKA) from CHO cells with a peptidic inhibitor fragment Deposited 2016-10-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MOH METHANOL × 9 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
Reservoir: 23% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.67 Å R-free 0.189 |
| 5M6V Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a double methylated Fasudil-derivative Deposited 2016-10-26 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | H52 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.42 Å R-free 0.174 |
| 5M6Y Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative Deposited 2016-10-26 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7KB 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 20% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.37 Å R-free 0.166 |
| 5M71 Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with an (R)-methyl substitued Fasudil-derivative. Deposited 2016-10-26 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7K7 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline × 1 MOH METHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 19% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.49 Å R-free 0.176 |
| 5M75 Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a (S)-methyl substitued Fasudil-derivative Deposited 2016-10-26 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 1 9K6 5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；Drop:
10 mg/ml PKA (0.240 mM)
30 mM MBT (MES/Bis-Tris Puffer pH 6.9)
1 mM DTT
0.1 mM EDTA
75 mM LiCl
0.03 mM Mega 8
0.07mM PKI (Sigma: P7739)
1.2 mM ligand solved in DMSO (50 mM Stock)
Reservoir: 18% Methanol
0.003 mL drop volume, 0.4 mL reservoir volume
|
Resolution 1.54 Å R-free 0.174 |
| 5MHI cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (5-chloro-2-methoxyphenyl)methanamine Deposited 2016-11-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 7N9 (5-chloranyl-2-methoxy-phenyl)methylazanium × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.49 Å R-free 0.165 |
| 5N1D cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-methyl-1-(5-pyridin-3-yloxyfuran-2-yl)methanamine Deposited 2017-02-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 8FZ (5-pyridin-3-yloxyfuran-2-yl)methanamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.61 Å R-free 0.186 |
| 5N1E cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide Deposited 2017-02-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 9NT ~{N}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.53 Å R-free 0.174 |
| 5N1F cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-quinolin-5-ylpyridine-3-carboxamide Deposited 2017-02-06 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 8ET ~{N}-quinolin-5-ylpyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.12 Å R-free 0.156 |
| 5N1G cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-(2-Amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one Deposited 2017-02-06 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 8G5 (4R)-4-(2-amino-1,3-thiazol-4-yl)-1-oxaspiro[4.5]decan-2-one × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.14 Å R-free 0.141 |
| 5N1H cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule Methyl 4-(aminomethyl)benzoate Deposited 2017-02-06 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 8G2 (4-methoxycarbonylphenyl)methylazanium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.18 Å R-free 0.158 |
| 5N1K cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-amino-1-(4-fluorophenyl)ethanol Deposited 2017-02-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 489 (1S)-2-amino-1-(4-fluorophenyl)ethanol × 3 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.80 Å R-free 0.207 |
| 5N1L cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2,5-dimethyl-N-pyridin-4-ylfuran-3-carboxamide Deposited 2017-02-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 47V 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.49 Å R-free 0.175 |
| 5N1M cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (5-chloro-2-methoxyphenyl)methanamine Deposited 2017-02-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 BJK (4-methoxy-3-oxidanyl-phenyl)methylazanium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.44 Å R-free 0.170 |
| 5N1N cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-chloro-9-propan-2-ylpurine Deposited 2017-02-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 8G8 2-chloranyl-9-methyl-purine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.41 Å R-free 0.179 |
| 5N1O cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-chloro-4-(chloromethyl)-5-hydroxyphenyl)ethan-1-one Deposited 2017-02-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 8GB 1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.80 Å R-free 0.191 |
| 5N32 cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-chlorobenzyl carbamimidothioate Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 8K5 [azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.83 Å R-free 0.214 |
| 5N33 cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 8JW 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.43 Å R-free 0.174 |
| 5N36 cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3H-isoindol-2-ium-1-amine Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 F05 1H-isoindol-3-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.58 Å R-free 0.186 |
| 5N37 cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 8JT 1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium × 2 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.59 Å R-free 0.167 |
| 5N39 cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidine Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 8LZ (2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.45 Å R-free 0.169 |
| 5N3A cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-amine Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 46P 4-methyl-5-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.40 Å R-free 0.184 |
| 5N3B cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(pyridin-3-yl)ethanamine Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 BJN 2-pyridin-3-ylethylazanium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.64 Å R-free 0.190 |
| 5N3C cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule Thiophene-3-Carboximidamide Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 8M2 [azanyl(thiophen-3-yl)methylidene]azanium × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.77 Å R-free 0.196 |
| 5N3D cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-(trifluoromethyl)benzenecarboximidamide Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 8NE [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.77 Å R-free 0.193 |
| 5N3E cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 6-dimethylaminopyridine-3-carboxylic acid Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 46L 6-(dimethylamino)pyridine-3-carboxylic acid × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.53 Å R-free 0.185 |
| 5N3F cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-[3-(aminomethyl)phenyl]acetamide Deposited 2017-02-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 463 N-[3-(aminomethyl)phenyl]acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.68 Å R-free 0.193 |
| 5N3G cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule (R)-1,4-oxazepan-6-ol Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 8KB (6~{R})-1,4-oxazepan-6-ol × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.16 Å R-free 0.157 |
| 5N3H cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule pyridine-3-carboxamide Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NCA NICOTINAMIDE × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.36 Å R-free 0.174 |
| 5N3I cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule methyl (2S)-2-amino-3-phenylpropanoate Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 3 BJQ [(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.14 Å R-free 0.151 |
| 5N3J cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-Nitrobenzoic acid Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 4NB 4-NITROBENZOIC ACID × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.12 Å R-free 0.148 |
| 5N3K cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule O-guanidino-L-homoserine Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | GGB L-CANAVANINE × 1 DMS DIMETHYL SULFOXIDE × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.33 Å R-free 0.172 |
| 5N3L cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 E5E Noradrenaline × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.38 Å R-free 0.160 |
| 5N3M cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule D-arginine Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 4 DAR D-ARGININE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.23 Å R-free 0.164 |
| 5N3N cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule [(2R)-2,4-dihydroxy-4-oxobutyl]-trimethylazanium Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 152 CARNITINE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.22 Å R-free 0.153 |
| 5N3O cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-(1,3-oxazol-5-yl)aniline Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 5AO 3-(1,3-oxazol-5-yl)aniline × 3 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.32 Å R-free 0.158 |
| 5N3P cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 1H-Indol-5-ol Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 5H1 1H-indol-5-ol × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.58 Å R-free 0.181 |
| 5N3Q cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-Aminobenzamide Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 3AB 3-aminobenzamide × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.31 Å R-free 0.155 |
| 5N3R cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 2-(carbamoylamino)-4-methylsulfanylbutanoic acid Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CDT 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.36 Å R-free 0.193 |
| 5N3S cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-Hydroxybenzamide Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | HBD 4-HYDROXYBENZAMIDE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.14 Å R-free 0.148 |
| 5N3T cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 5-Chlorothiophene-2-sulfonamide Deposited 2017-02-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 8K2 5-chloranylthiophene-2-sulfonamide × 2 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.21 Å R-free 0.157 |
| 5N7P cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(pyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile Deposited 2017-02-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | E9Q 5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.50 Å R-free 0.186 |
| 5N7U cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-Bromo-3,5-dimethyl-1H-pyrazole Deposited 2017-02-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 8PQ 4-bromanyl-3,5-dimethyl-1~{H}-pyrazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；MES-BIS-TRIS
Mega8-Solution
DTT
EDTA
LiCl
Methanol
|
Resolution 1.37 Å R-free 0.177 |
| 5NTJ Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032 Deposited 2017-04-28 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277.15 K；5 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 16 % v/v methanol/water in reservoir
|
Resolution 1.56 Å R-free 0.177 |
| 5NW8 Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and Fasudil Deposited 2017-05-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；5 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM Fasudil x HCl, 16 % v/v methanol/water in reservoir
|
Resolution 2.09 Å R-free 0.212 |
| 5O0E Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and Fasudil Deposited 2017-05-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；5 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM Fasudil x HCl, 20 % v/v methanol/water in reservoir
|
Resolution 1.50 Å R-free 0.170 |
| 5O5M Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp117 Deposited 2017-06-02 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 9LQ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；5 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp117, 15 % v/v methanol/water in reservoir
|
Resolution 1.58 Å R-free 0.182 |
| 5OK3 Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil Deposited 2017-07-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；5 mM Mes-Bis-Tris, 75 mM lithium chloride,1 mM DTT, 0.1 mM sodium EDTA, 0,25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM Fasudil x HCl, 20 % v/v methanol/water in reservoir
|
Resolution 1.59 Å R-free 0.172 |
| 5OL3 Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp117 Deposited 2017-07-26 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 9LQ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp117, 17 % v/v methanol/water in reservoir
|
Resolution 1.58 Å R-free 0.199 |
| 5OT3 Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp117 Deposited 2017-08-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 9LQ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 RIP beta-D-ribopyranose × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp117, 20 % v/v methanol/water in reservoir
|
Resolution 2.04 Å R-free 0.228 |
| 5OTG Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and RKp190 Deposited 2017-08-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | AO8 [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp190, 18 % v/v methanol/water in reservoir
|
Resolution 1.73 Å R-free 0.206 |
| 5OUA Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp017 Deposited 2017-08-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 15 % v/v methanol/water in reservoir
|
Resolution 1.67 Å R-free 0.194 |
| 5OUC Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp191 and RKp190 Deposited 2017-08-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | AO8 [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid × 1 RIP beta-D-ribopyranose × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp190, 20 % v/v methanol/water in reservoir
|
Resolution 1.46 Å R-free 0.175 |
| 5OUS Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193 Deposited 2017-08-24 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 19 % v/v methanol/water in reservoir
|
Resolution 2.21 Å R-free 0.233 |
| 6EGW Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp017 and RKp117 Deposited 2017-09-12 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 9LQ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid × 1 RIB alpha-D-ribofuranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp117, 18% v/v methanol/water in reservoir
|
Resolution 1.74 Å R-free 0.203 |
| 6EH0 Apo crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Deposited 2017-09-12 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
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, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.49 Å R-free 0.186 |
| 6EH2 Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and AMP Deposited 2017-09-12 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | AMP ADENOSINE MONOPHOSPHATE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 2 mM AMP, 19% v/v methanol/water in reservoir
|
Resolution 1.76 Å R-free 0.210 |
| 6EH3 Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and RKp190 Deposited 2017-09-12 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | B4Z ~{N}-[2-[(phenylmethyl)amino]ethyl]isoquinoline-5-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp190, 19% v/v methanol/water in reservoir
|
Resolution 1.95 Å R-free 0.219 |
| 6EM2 Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with Fasudil Deposited 2017-10-01 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.30 Å R-free 0.152 |
| 6EM6 Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and ADP Deposited 2017-10-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 55 mM lithium chloride, 10 mM magnesium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 2 mM ADP, 16% v/v methanol/water in reservoir
|
Resolution 1.64 Å R-free 0.191 |
| 6EM7 Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ADP Deposited 2017-10-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 55 mM lithium chloride, 10 mM magnesium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM ADP, 20% v/v methanol/water in reservoir
|
Resolution 1.24 Å R-free 0.157 |
| 6EMA Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and ATP Deposited 2017-10-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ATP ADENOSINE-5'-TRIPHOSPHATE × 1 RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 55 mM lithium chloride, 10 mM magnesium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 2 mM ATP, 17% v/v methanol/water in reservoir
|
Resolution 1.88 Å R-free 0.213 |
| 6ERT Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp193 and RKp117 Deposited 2017-10-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BVZ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp117, 17% v/v methanol/water in reservoir
|
Resolution 1.80 Å R-free 0.218 |
| 6ERU Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp120 Deposited 2017-10-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
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, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 19% v/v methanol/water in reservoir
|
Resolution 2.15 Å R-free 0.245 |
| 6ERV Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 Deposited 2017-10-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 20% v/v methanol/water in reservoir
|
Resolution 2.06 Å R-free 0.217 |
| 6ERW Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil Deposited 2017-10-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM Fasudil, 20% v/v methanol/water in reservoir
|
Resolution 1.89 Å R-free 0.229 |
| 6ESA Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp120 and AMP Deposited 2017-10-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | AMP ADENOSINE MONOPHOSPHATE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 55 mM lithium chloride, 10 mM magnesium chloride 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM AMP, 20% v/v methanol/water in reservoir
|
Resolution 1.31 Å R-free 0.147 |
| 6F14 Crystal structure of the cAMP-dependent protein kinase A cocrystallized with isoquinoline and PKI (5-24) Deposited 2017-11-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ISQ ISOQUINOLINE × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；30 mM MES-BIS-TRIS-Buffer, 1mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.03 mM Mega 8, 10 mM isoquinoline in DMSO, 0.07 mM PKI (5-24) and methanol 24 % (v/v)
|
Resolution 1.87 Å R-free 0.209 |
| 6I2A Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and Fasudil Deposited 2018-11-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM Fasudil, 23% v/v methanol/water in reservoir
|
Resolution 1.75 Å R-free 0.207 |
| 6I2B Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp153 and RKp117 Deposited 2018-11-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 9LQ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid × 2 RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp117, 15% v/v methanol/water in reservoir
|
Resolution 1.97 Å R-free 0.248 |
| 6I2C Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and Fasudil Deposited 2018-11-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 RIP beta-D-ribopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM Fasudil, 16% v/v methanol/water in reservoir
|
Resolution 1.82 Å R-free 0.221 |
| 6I2D Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp117 Deposited 2018-11-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 9LQ [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp117, 19% v/v methanol/water in reservoir
|
Resolution 1.91 Å R-free 0.222 |
| 6I2H Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190 Deposited 2018-11-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | AO8 [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid × 1 RIP beta-D-ribopyranose × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277.15 K；100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 5 mM RKp190, 20% v/v methanol/water in reservoir
|
Resolution 1.68 Å R-free 0.202 |
| 6SNN Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzoic acid Deposited 2019-08-27 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BEZ BENZOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；100 mM MES-BIS-TRIS-Buffer, 1mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.03 mM Mega 8 and 23 % methanol (v/v)
0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.82 Å R-free 0.209 |
| 6SNX Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzamide Deposited 2019-08-27 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | UNU BENZAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.03 Mega 8 and 23 % methanol (v/v)
0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.40 Å R-free 0.173 |
| 6SOX Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-carbamoylbenzoic acid Deposited 2019-08-30 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | LQ2 4-aminocarbonylbenzoic acid × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.03 Mega 8 and 23 % methanol (v/v)0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.38 Å R-free 0.168 |
| 6SPM Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzoic acid Deposited 2019-09-02 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 3AE 4-(trifluoromethyl)benzoic acid × 1 MOH METHANOL × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.03 Mega 8 and 23 % methanol (v/v)0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.37 Å R-free 0.170 |
| 6SPS Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzamide Deposited 2019-09-02 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 LR5 4-(trifluoromethyl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.03 Mega 8 and 23 % methanol (v/v)0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.65 Å R-free 0.223 |
| 6SPU Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 3-aminobenzoic acid Deposited 2019-09-02 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 4 GAB 3-AMINOBENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.03 Mega 8 and 23 % methanol (v/v)0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.39 Å R-free 0.184 |
| 6SPY Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 6-(morpholin-4-yl)pyridine-3-carboxamide Deposited 2019-09-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | LR8 6-morpholin-4-ylpyridine-3-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.03 Mega 8 and 23 % methanol (v/v)0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.60 Å R-free 0.182 |
| 6SQ1 Crystal structure of cAMP-dependent Protein Kinase A (CHO PKA) in complex with Aminofasudil Deposited 2019-09-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 LRT 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine × 1 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.03 Mega 8 and 23 % methanol (v/v)0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.49 Å R-free 0.177 |
| 6Y05 Crystal structure of the cAMP-dependent protein kinase A cocrystallized with adenine and PKI (5-24) Deposited 2020-02-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ADE ADENINE × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 Mega 8, 10mM adenine in DMSO, 0.5 mM PKI (5-24) and 23 % methanol (v/v)0.004 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.70 Å R-free 0.205 |
| 6Y2O Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 1,7-Naphthyridin-8-amine and PKI (5-24) Deposited 2020-02-17 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 5 O72 1,7-naphthyridin-8-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；30 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 Mega8, 14 mM 1,7-Naphthyridin-8-amine, 0.5 mM PKI (5-24) and 18-23 % methanol (v/v)0.004 mL drop volume, 1.0 mL reservoir volume
|
Resolution 2.01 Å R-free 0.254 |
| 6Y2U Crystal structure of the cAMP-dependent protein kinase A cocrystallized with aminofasudil and PKI (5-24) Deposited 2020-02-17 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | LRT 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 Mega8, 5 mM aminofasudil (in DMSO), 0.5 mM PKI (5-24) and 18-23 % methanol (v/v)0.004 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.93 Å R-free 0.222 |
| 6Y89 Crystal structure of the cAMP-dependent protein kinase A cocrystallized with Methyl 5-isoquinolinecarboxylate and PKI (5-24) Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | OGB methyl isoquinoline-5-carboxylate × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 MOH METHANOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；30 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8, 15 mM methyl 5-isoquinolinecarboxylate, 0.5 mM PKI (5-24) and 18-23 % methanol (v/v)0.004 mL drop volume, 1.0 mL reservoir volume
|
Resolution 1.56 Å R-free 0.192 |
| 6Y8C Crystal structure of the cAMP-dependent protein kinase A cocrystallized with ATP and PKI (5-24) Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 DMS DIMETHYL SULFOXIDE × 5 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；30 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, LiCl, Mega 8, ATP MgCl2 and 18-23 % methanol (v/v), 0.7 mM PKI(5-24), 0.004 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.76 Å R-free 0.190 |
| 6YNA Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with Fasudil (M77, soaked) Deposited 2020-04-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 M77 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；0.24mM PKA, 30mM MES-BIS-TRIS-Buffer pH 6.2-6.9, 1mM DTT, 0.1mM EDTA, 75mM LiCl, 0.3mM Mega 8, 0.7mM PKI, 16%(v/v) methanol; soaking in buffer described with 0.12mM ligand solved in DMSO and 30%(v/v) MPD
|
Resolution 1.47 Å R-free 0.189 |
| 6YNB Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with short-chain Fasudil-derivative N-(2-aminoethyl)isoquinoline-5-sulfonamide (soaked) Deposited 2020-04-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IQU N-(2-AMINOETHYL)ISOQUINOLINE-5-SULFONAMIDE × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；0.24mM PKA, 30mM MBT (MES/Bis-Tris Buffer pH 6.2-6.9), 1mM DTT, 0.1mM EDTA, 75mM LiCl, 0.3mM Mega 8, 0.7mM PKI, 16%(v/v) methanol; soaking in buffer described with 0.12mM ligand solved in DMSO and 30%(v/v) MPD
|
Resolution 1.72 Å R-free 0.201 |
| 6YNC Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with the methylated Fasudil-derived fragment N-methylisoquinoline-5-sulfonamide (soaked) Deposited 2020-04-13 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7CT ~{N}-methylisoquinoline-5-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；0.24mM PKA, 30mM MBT (MES/Bis-Tris Buffer pH 6.2-6.9), 1mM DTT, 0.1mM EDTA, 75mM LiCl, 0.3mM Mega 8, 0.7mM PKI, 16%(v/v) methanol; soaking in buffer described with 0.12mM ligand solved in DMSO and 30%(v/v) MPD
|
Resolution 1.40 Å R-free 0.173 |
| 6YNR Crystal structure of the cAMP-dependent protein kinase A in complex with 1,7-Naphthyridin-8-amine (soaked) and PKI (5-24) Deposited 2020-04-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 O72 1,7-naphthyridin-8-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；0.2 mM PKA, 100 mM MBT (MES/Bis-Tris Puffer pH 6.9), 1 mM DTT, 0.1 mM EDTA, 75 mM LiCl, 0.2 mM Mega8, 0.5 mM PKI and 18-23% (v/v) Methanol. Soaking in buffer described above with 10% (v/v) 1,7-Naphthydrin-8-amine in DMSO (1M stock) and 30% (v/v) MPD
|
Resolution 1.90 Å R-free 0.221 |
| 6YNT Crystal structure of the cAMP-dependent protein kinase A in complex with aminofasudil and PKI (5-24) Deposited 2020-04-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 2 LRT 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；0.2 mM PKA , 100 mM MBT (MES/Bis-Tris Puffer pH 6.9), 1 mM DTT, 0.1 mM EDTA, 75 mM LiCl, 0.2 mM Mega8, 0.5 mM PKI, 16-23% (v/v) Methanol. Soaking in buffer with 10% (v/v) of aminofasudil (50mM stock) in DMSO and 30% (v/v) MPD
|
Resolution 1.52 Å R-free 0.191 |
| 6YOT Crystal structure of the cAMP-dependent protein kinase A cocrystallized with N,N-dimethylisoquinoline-5-sulfonamide and PKI (5-24) Deposited 2020-04-15 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | P4W ~{N},~{N}-dimethylisoquinoline-5-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；0,2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8, 0.5 mM PKI, 15 mM N,N-dimethylisoquinoline-5-sulfonamide in DMSO and 18-23 % methanol (v/v) 0.004 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.96 Å R-free 0.213 |
| 6YOU Crystal structure of the cAMP-dependent protein kinase A in complex with Pyrido[3,2-d]pyrimidin-4-amine (soaked) Deposited 2020-04-15 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | P4Q pyrido[3,2-d]pyrimidin-4-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；0,2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v) 0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.73 Å R-free 0.216 |
| 6YPP Crystal structure of the cAMP-dependent protein kinase A cocrystallized with PKI (5-24). Soaking of aminofasudil and displacing it with the fragment isoquinoline. Deposited 2020-04-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ISQ ISOQUINOLINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；0,2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v)
0.003 mL drop volume, 0.5 mL reservoir volume
Soaking of aminofasudil: in buffer with 10% of ligand in DMSO (50 mM stock) and 30% MPD
Displacement with isoquinoline: in buffer with 10% of ligand in DMSO and 30% MPD
|
Resolution 1.75 Å R-free 0.203 |
| 6YPS Crystal structure of the cAMP-dependent protein kinase A in complex with 4-hydroxybenzamidine Deposited 2020-04-16 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 1 P72 4-oxidanylbenzenecarboximidamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；0,2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v)
0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.35 Å R-free 0.157 |
| 6YQI Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with long-chain Fasudil-derivative N-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide (soaked) Deposited 2020-04-17 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 6TV ~{N}-[2-(propylamino)ethyl]isoquinoline-5-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；0.24mM PKA, 30mM MBT (MES/Bis-Tris Buffer pH 6.2-6.9), 1mM DTT, 0.1mM EDTA, 75mM LiCl, 0.3mM Mega 8, 0.7mM PKI, 16%(v/v) methanol; soaking in buffer described with 0.12mM ligand solved in DMSO and 30%(v/v) MPD
|
Resolution 1.42 Å R-free 0.180 |
| 6YQJ Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with open-chain Fasudil-derivative 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium (soaked) Deposited 2020-04-17 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 6TX 2-[isoquinolin-5-ylsulfonyl(propyl)amino]ethylazanium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；0.24mM PKA, 30mM MBT (MES/Bis-Tris Buffer pH 6.2-6.9), 1mM DTT, 0.1mM EDTA, 75mM LiCl, 0.3mM Mega 8, 0.7mM PKI, 16%(v/v) methanol; soaking in buffer described with 0.12mM ligand solved in DMSO and 30%(v/v) MPD
|
Resolution 1.58 Å R-free 0.201 |
| 6YQK Crystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a methylisoquinoline Fasudil-derivative (soaked) Deposited 2020-04-17 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7KB 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；0.24mM PKA, 30mM MBT (MES/Bis-Tris Buffer pH 6.2-6.9), 1mM DTT, 0.1mM EDTA, 75mM LiCl, 0.3mM Mega 8, 0.7mM PKI, 16%(v/v) methanol; soaking in buffer described with 0.12mM ligand solved in DMSO and 30%(v/v) MPD
|
Resolution 1.67 Å R-free 0.202 |
| 6Z08 Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-Nitrophenol Deposited 2020-05-08 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NPO P-NITROPHENOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v) 0.003 mL drop volume, 0.5 mL reservoir volume
Soaking of 4-Nitrophenol (10% (v/v) in DMSO) in buffer (60% (v/v)) and MPD (30% (v/v)).
|
Resolution 1.49 Å R-free 0.185 |
| 6Z44 Crystal structure of the cAMP-dependent protein kinase A in complex with phenol Deposited 2020-05-22 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IPH PHENOL × 1 DMS DIMETHYL SULFOXIDE × 3 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；0,2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v)
0.003 mL drop volume, 0.5 mL reservoir volume
Soaking: 100mM phenol in buffer described above and 30% MPD
|
Resolution 1.38 Å R-free 0.174 |
| 6ZN0 Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with isonicotinamidine Deposited 2020-07-06 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 DMS DIMETHYL SULFOXIDE × 2 NTN ISONICOTINAMIDINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；277 K；0,2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v)
0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.59 Å R-free 0.186 |
| 7AXT Crystal structure of the cAMP-dependent protein kinase A cocrystallized with isoquinoline-5-carboxylic acid and PKI (5-24) Deposited 2020-11-10 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | S9B isoquinoline-5-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；30mM MBT, 1mM DTT, 0.1mM EDTA, 75mM LiCl, 0.3mM Mega8, 0.07mM PKI, 10mM of isoquinoline-5-carboxylic acid (solved in DMSO, 100mM) and 20% (v/v) MeOH
|
Resolution 1.86 Å R-free 0.226 |
| 7AXV Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 5-isoquinolinesulfonic acid and PKI (5-24) Deposited 2020-11-10 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | S95 isoquinoline-5-sulfonic acid × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；30mM MBT, 1mM DTT, 0.1mM EDTA, 75mM LiCl, 0.3mM Mega8, 0.07mM PKI, 10mM of 5-isoquinolinesulfonic acid (solved in DMSO, 100mM) and 20% (v/v) MeOH
|
Resolution 1.79 Å R-free 0.231 |
| 7AXW Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 1-aminoisoquinoline and PKI (5-24) Deposited 2020-11-10 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1SQ ISOQUINOLIN-1-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.9；277 K；30mM MBT, 1mM DTT, 0.1mM EDTA, 75mM LiCl, 0.3mM Mega8, 0.07mM PKI, 10mM of 1-aminoisoquinoline (solved in DMSO, 100mM) and 20% (v/v) MeOH
|
Resolution 1.69 Å R-free 0.219 |
| 7BAQ Crystal structure of the cAMP-dependent protein kinase A cocrystallized with a chiral ligand (S- and E-configuration) and PKI (5-24) Deposited 2020-12-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | T82 (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8, 0.5 mM PKI and 18-23 % methanol (v/v) 0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.54 Å R-free 0.220 |
| 7BAR Crystal structure of the cAMP-dependent protein kinase A with a chiral ligand (S- and E-configuration, soaked) Deposited 2020-12-16 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | T82 (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v) 0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.37 Å R-free 0.179 |
| 7BB0 Crystal structure of the cAMP-dependent protein kinase A cocrystallized with NAT22-366511 and PKI (5-24) Deposited 2020-12-16 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | T7W (R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.2 mM PKA in 30 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8, 0.5 mM PKI and 18-23 % methanol (v/v) 0.003 mL drop volume, 0.5 mL reservoir volume
|
Resolution 1.75 Å R-free 0.235 |
| 7PID Protein kinase A catalytic subunit in complex with PKI5-24 and EN060 Deposited 2021-08-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7QI 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；Protein at 8 mg/mL in 100 mM Mes-Bis-Tris pH 6.9, 75 mM Lithium chloride, 1 mM DTT, 100 mM Sodium-EDTA. Master-Mix: 540 uL of protein + 15 uL 10 mM Mega8 in Water + 45 uL 10 mM PKI5-24 in protein-buffer. 70 % Master-Mix mixed with 30 % 50 mM ligand in DMSO before setting of drops. 15-24 % Methanol/Water in Reservoir.
|
Resolution 1.50 Å R-free 0.161 |
| 7PIE Protein kinase A catalytic subunit in complex with PKI5-24 and EN068 Deposited 2021-08-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7QF 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；Protein at 8 mg/mL in 100 mM Mes-Bis-Tris pH 6.9, 75 mM Lithium chloride, 1 mM DTT, 100 mM Sodium-EDTA. Master-Mix: 540 uL of protein + 15 uL 10 mM Mega8 in Water + 45 uL 10 mM PKI5-24 in protein-buffer. 70 % Master-Mix mixed with 30 % 50 mM ligand in DMSO before setting of drops. 15-24 % Methanol/Water in Reservoir.
|
Resolution 1.43 Å R-free 0.158 |
| 7PIF Protein kinase A catalytic subunit in complex with PKI5-24 and EN086 Deposited 2021-08-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7QL 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；Protein at 8 mg/mL in 100 mM Mes-Bis-Tris pH 6.9, 75 mM Lithium chloride, 1 mM DTT, 100 mM Sodium-EDTA. Master-Mix: 540 uL of protein + 15 uL 10 mM Mega8 in Water + 45 uL 10 mM PKI5-24 in protein-buffer. 70 % Master-Mix mixed with 30 % 50 mM ligand in DMSO before setting of drops. 15-24 % Methanol/Water in Reservoir.
|
Resolution 1.40 Å R-free 0.155 |
| 7PIG Protein kinase A catalytic subunit in complex with PKI5-24 and EN088 Deposited 2021-08-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7QR 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；Protein at 8 mg/mL in 100 mM Mes-Bis-Tris pH 6.9, 75 mM Lithium chloride, 1 mM DTT, 100 mM Sodium-EDTA. Master-Mix: 540 uL of protein + 15 uL 10 mM Mega8 in Water + 45 uL 10 mM PKI5-24 in protein-buffer. 70 % Master-Mix mixed with 30 % 50 mM ligand in DMSO before setting of drops. 15-24 % Methanol/Water in Reservoir.
|
Resolution 1.55 Å R-free 0.154 |
| 7PIH Protein kinase A catalytic subunit in complex with PKI5-24 and EN093 Deposited 2021-08-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 7QW 6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；Protein at 8 mg/mL in 100 mM Mes-Bis-Tris pH 6.9, 75 mM Lithium chloride, 1 mM DTT, 100 mM Sodium-EDTA. Master-Mix: 540 uL of protein + 15 uL 10 mM Mega8 in Water + 45 uL 10 mM PKI5-24 in protein-buffer. 70 % Master-Mix mixed with 30 % 50 mM ligand in DMSO before setting of drops. 15-24 % Methanol/Water in Reservoir
|
Resolution 1.37 Å R-free 0.157 |
| 7PNS Protein kinase A catalytic subunit in complex with PKI5-24 and EN081 Deposited 2021-09-07 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 7W8 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；Protein at 8 mg/mL in 100 mM Mes-Bis-Tris pH 6.9, 75 mM Lithium chloride, 1 mM DTT, 100 mM Sodium-EDTA. Master-Mix: 540 uL of protein + 15 uL 10 mM Mega8 in Water + 45 uL 10 mM PKI5-24 in protein-buffer. 70 % Master-Mix mixed with 30 % 50 mM ligand in DMSO before setting of drops. 15-24 % Methanol/Water in Reservoir.
|
Resolution 1.85 Å R-free 0.202 |
| 9RDU Crystal structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F001 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JE8 (3~{R},5~{S})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol × 3 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.42 Å R-free 0.170 |
| 9RDV Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F005 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PG4 TETRAETHYLENE GLYCOL × 1 DMS DIMETHYL SULFOXIDE × 8 A1JE7 (3~{R},5~{S})-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.32 Å R-free 0.175 |
| 9RDW Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F009 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 5 A1JE6 (3~{R},5~{S})-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol × 2 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.44 Å R-free 0.164 |
| 9RDX Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F012 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 5 A1JE5 (2~{S})-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,3,6-tetrahydropyridine-4,5-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.50 Å R-free 0.208 |
| 9RDY Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F024 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 6 A1JE4 (1~{S},4~{R})-4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)cyclopent-2-en-1-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.50 Å R-free 0.206 |
| 9RDZ Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F030 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PEG DI(HYDROXYETHYL)ETHER × 1 A1JE9 [(3~{S},3~{a}~{R},6~{R},6~{a}~{S})-3-azanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-6-yl] ~{N}-phenylcarbamate × 2 DMS DIMETHYL SULFOXIDE × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.64 Å R-free 0.212 |
| 9RE0 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F032 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 14 A1JE3 [(3~{S},3~{a}~{R},6~{R},6~{a}~{S})-3-azanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-6-yl] ~{N}-(3-fluorophenyl)carbamate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.58 Å R-free 0.199 |
| 9RE1 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F055 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PEG DI(HYDROXYETHYL)ETHER × 1 A1JE2 1-[4-[(1~{S},2~{S},3~{S},4~{R},5~{R})-2-azanyl-3-oxidanyl-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperazin-1-yl]ethanone × 2 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.41 Å R-free 0.189 |
| 9RE2 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F058 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 2 PEG DI(HYDROXYETHYL)ETHER × 1 A1JE1 (1~{S},2~{S},3~{S},4~{R},5~{R})-2-azanyl-4-morpholin-4-yl-6,8-dioxabicyclo[3.2.1]octan-3-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.68 Å R-free 0.233 |
| 9RE3 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F070 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 5 A1JE0 2-(4-methoxyphenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.57 Å R-free 0.213 |
| 9RE4 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F073 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PG4 TETRAETHYLENE GLYCOL × 1 A1JEZ 2-(4-chlorophenyl)-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole × 3 PEG DI(HYDROXYETHYL)ETHER × 1 DMS DIMETHYL SULFOXIDE × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.47 Å R-free 0.208 |
| 9RE5 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F074 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEY 2-pyridin-4-yl-5-[(3~{S})-pyrrolidin-3-yl]-1,3,4-oxadiazole × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.70 Å R-free 0.235 |
| 9RE6 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F102 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 4 A1JEX [(3~{S})-3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyrimidin-5-yl-methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.45 Å R-free 0.194 |
| 9RE7 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F134 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | D6V 2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole × 4 DMS DIMETHYL SULFOXIDE × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.46 Å R-free 0.183 |
| 9RE8 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F138 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEQ methyl 2-[(3~{S})-pyrrolidin-3-yl]-1~{H}-benzimidazole-5-carboxylate × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.50 Å R-free 0.204 |
| 9RE9 Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F145 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 5 A1JER (3~{R})-3-[4-(5-chloranylthiophen-2-yl)-1~{H}-imidazol-2-yl]morpholine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.41 Å R-free 0.182 |
| 9REA Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F168 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JES (2~{R},3~{S},6~{S})-2-(aminomethyl)-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-3-ol × 2 DMS DIMETHYL SULFOXIDE × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.52 Å R-free 0.207 |
| 9REB Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F184 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JET methyl 2-[(1~{S})-1-(oxan-4-ylamino)-2-oxidanyl-ethyl]-1,3-oxazole-4-carboxylate × 1 DMS DIMETHYL SULFOXIDE × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.39 Å R-free 0.174 |
| 9REC Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F186 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PGF 2,5,8,11-TETRAOXATRIDECANE × 1 A1JEU methyl 2-[(1~{R})-1-(2,2-dimethylpropanoylamino)-2-oxidanyl-ethyl]-1,3-oxazole-4-carboxylate × 1 DMS DIMETHYL SULFOXIDE × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.20 Å R-free 0.165 |
| 9RED Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F188 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEV (2~{S})-1-[(1~{R})-1-(4-chlorophenyl)-2-(methylamino)-2-oxidanylidene-ethyl]pyrrolidine-2-carboxylic acid × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.31 Å R-free 0.179 |
| 9REE Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F189 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEW ~{N}-[(3~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-4-methyl-benzenesulfonamide × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.34 Å R-free 0.167 |
| 9REF Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F203 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PG4 TETRAETHYLENE GLYCOL × 1 D8J 2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol × 1 DMS DIMETHYL SULFOXIDE × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.42 Å R-free 0.177 |
| 9REG Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F225 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEP 1-[[(2~{R},3~{R},4~{R})-3-azanyl-4-oxidanyl-oxolan-2-yl]methyl]-3-phenyl-urea × 2 DMS DIMETHYL SULFOXIDE × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.35 Å R-free 0.164 |
| 9REH Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F236 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 9 A1JEO (6~{R})-6-(4-methylsulfonylphenoxy)-1,4-oxazepane × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.33 Å R-free 0.165 |
| 9REI Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F248 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEN (8~{a}~{R})-7-(phenylcarbonyl)-5,6,8,8~{a}-tetrahydro-1~{H}-[1,3]oxazolo[3,4-a]pyrazin-3-one × 2 DMS DIMETHYL SULFOXIDE × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.42 Å R-free 0.199 |
| 9REJ Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F264 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 4 A1JEM 1-ethyl-3-[[(4~{S})-8-fluoranyl-3,4-dihydro-1~{H}-[1,4]oxazino[4,3-a]benzimidazol-4-yl]methyl]urea × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.40 Å R-free 0.170 |
| 9REK Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F274 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | D8P [(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol × 4 DMS DIMETHYL SULFOXIDE × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.38 Å R-free 0.190 |
| 9REL Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F283 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 1PE PENTAETHYLENE GLYCOL × 1 D8V 4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol × 2 DMS DIMETHYL SULFOXIDE × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.42 Å R-free 0.177 |
| 9REM Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F294 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEL 4-[2-[[(3~{R})-3-oxidanylpyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]piperidin-4-ol × 1 DMS DIMETHYL SULFOXIDE × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.43 Å R-free 0.173 |
| 9REN Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F296 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEK (3~{a}~{S},10~{a}~{R})-8-fluoranyl-4-methyl-2,3,3~{a},10~{a}-tetrahydro-1~{H}-pyrrolo[3,4-b][1,4]benzoxazepin-5-one × 1 DMS DIMETHYL SULFOXIDE × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.38 Å R-free 0.181 |
| 9REO Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F299 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEJ (3~{S},7~{R})-2-oxa-9$l^{6}-thia-5,8,14-triazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),11,13-triene 9,9-dioxide × 5 DMS DIMETHYL SULFOXIDE × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.45 Å R-free 0.175 |
| 9REP Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F304 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PEG DI(HYDROXYETHYL)ETHER × 1 A1JFA 3-(4-methoxyphenyl)-4-[(1~{S})-1-oxidanylethyl]-1,2-oxazole-5-carboxylic acid × 3 DMS DIMETHYL SULFOXIDE × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.44 Å R-free 0.181 |
| 9REQ Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F310 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PEG DI(HYDROXYETHYL)ETHER × 1 A1JEI 1-[[(2~{R},3~{S},6~{S})-6-(2-hydroxyethyl)-3-oxidanyl-oxan-2-yl]methyl]-3-phenyl-urea × 1 DMS DIMETHYL SULFOXIDE × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.50 Å R-free 0.225 |
| 9RER Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F312 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEH (2~{S},3~{R},4~{S})-4-azanyl-2-(morpholin-4-ylmethyl)oxolan-3-ol × 1 DMS DIMETHYL SULFOXIDE × 8 PEG DI(HYDROXYETHYL)ETHER × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.45 Å R-free 0.198 |
| 9RES Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F313 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A1JEG (2~{S},3~{R},4~{R})-4-azanyl-2-(diethylaminomethyl)oxolan-3-ol × 1 DMS DIMETHYL SULFOXIDE × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.50 Å R-free 0.211 |
| 9RET Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus griseus in complex with F322 Deposited 2025-06-03 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DMS DIMETHYL SULFOXIDE × 4 A1JEF (2~{S},3~{R},4~{S})-4-azanyl-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；100 mM Mes/Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 23% v/v methanol/water in reservoir
|
Resolution 1.75 Å R-free 0.227 |
158 other PDB entries and 158 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | KAPCA_CRIGR |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 3–353； UniProt 1–351 |
