Current Protein Identity：P00517
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1CDK CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C Deposited 1994-07-04 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MN MANGANESE (II) ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MYR MYRISTIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5.6；280 K；pH 5.6, temperature 280K
|
Resolution 2.00 Å |
| 1CDK CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C Deposited 1994-07-04 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MN MANGANESE (II) ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MYR MYRISTIC ACID × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 5.6；280 K；pH 5.6, temperature 280K
|
Resolution 2.00 Å |
| 1CMK CRYSTAL STRUCTURES OF THE MYRISTYLATED CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE REVEAL OPEN AND CLOSED CONFORMATIONS Deposited 1993-11-18 | Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
Chain E
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MYR MYRISTIC ACID × 6 IOD IODIDE ION × 12 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.90 Å |
| 1Q24 PKA double mutant model of PKB in complex with MgATP Deposited 2003-07-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：V123A, L173M Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；277.16 K；Mes-Bistris, LiCl, DTT, Mega8, PKI, ATP, MgCl, , pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277.16K, pH 6.40
|
Resolution 2.60 Å R-free 0.250 |
| 1Q61 PKA triple mutant model of PKB Deposited 2003-08-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) | MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；277.15 K；MES-Bistris, LiCl, DTT, Mega8, PKI, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.10 Å R-free 0.232 |
| 1Q62 PKA double mutant model of PKB Deposited 2003-08-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：V123A, L173M Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277.15 K；MES-Bistris, LiCl, DTT, Mega8, PKI, methanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K
|
Resolution 2.30 Å R-free 0.252 |
| 1Q8T The Catalytic Subunit of cAMP-dependent Protein Kinase (PKA) in Complex with Rho-kinase Inhibitor Y-27632 Deposited 2003-08-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
Fragment：Catalytic Subunit
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | Y27 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.00 Å R-free 0.229 |
| 1Q8U The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor H-1152P Deposited 2003-08-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
Fragment：Catalytic Subunit
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | H52 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE × 2 MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 1.90 Å R-free 0.206 |
| 1Q8W The Catalytic Subunit of cAMP-dependent Protein Kinase in Complex with Rho-kinase Inhibitor Fasudil (HA-1077) Deposited 2003-08-22 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
Fragment：Catalytic Subunit
|
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, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.295 |
| 1SMH Protein kinase A variant complex with completely ordered N-terminal helix Deposited 2004-03-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
Fragment：Catalytic Subunit
|
Mutation：Q84E, V123A, L173M, F187L Non-standard monomer：Yes (specific site not provided by mmCIF) | BU3 (R,R)-2,3-BUTANEDIOL × 6 MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, (R,R)-2,3-butanediol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.04 Å R-free 0.238 |
| 1STC CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH STAUROSPORINE Deposited 1997-10-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1–350（350 aa）
Fragment：CATALYTIC SUBUNIT
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | STU STAUROSPORINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.30 Å R-free 0.330 |
| 1SVE Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 1 Deposited 2004-03-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NA SODIUM ION × 1 I01 (4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER × 1 MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.49 Å R-free 0.257 |
| 1SVG Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4 Deposited 2004-03-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | I04 N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.02 Å R-free 0.227 |
| 1SVH Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8 Deposited 2004-03-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | I08 (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8 , pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.30 Å R-free 0.259 |
| 1SZM DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA) Deposited 2004-04-06 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) | BI4 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, PKI(5-24), pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.50 Å R-free 0.289 |
| 1SZM DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA) Deposited 2004-04-06 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–350（350 aa）
|
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) | BI4 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, PKI(5-24), pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.50 Å R-free 0.289 |
| 1VEB Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5 Deposited 2004-03-29 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | I05 (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-3-YL}-ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.89 Å R-free 0.251 |
| 1XH4 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | R69 N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.45 Å R-free 0.242 |
| 1XH5 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | R68 N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE × 1 BU3 (R,R)-2,3-BUTANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.05 Å R-free 0.236 |
| 1XH6 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | R94 N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 1.90 Å R-free 0.249 |
| 1XH7 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | R96 N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.47 Å R-free 0.254 |
| 1XH8 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | R55 N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 1.60 Å R-free 0.236 |
| 1XH9 Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：Q84E, V123A, L173M, F187L, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) | R69 N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE × 1 BU3 (R,R)-2,3-BUTANEDIOL × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 1.64 Å R-free 0.199 |
| 1XHA Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants Deposited 2004-09-17 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：Q84E, V123A, L173M, F187L Non-standard monomer：Yes (specific site not provided by mmCIF) | R68 N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, MEGA-8, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.46 Å R-free 0.272 |
| 1YDR STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H7 PROTEIN KINASE INHIBITOR 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE Deposited 1996-07-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1–350（350 aa）
Fragment：CATALYTIC SUBUNIT
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IQP 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop
|
Resolution 2.20 Å |
| 1YDS Structure of CAMP-dependent protein kinase, alpha-catalytic subunit in complex with H8 protein kinase inhibitor [N-(2-methylamino)ethyl]-5-isoquinolinesulfonamide Deposited 1996-07-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1–350（350 aa）
Fragment：CATALYTIC SUBUNIT
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IQS N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop
|
Resolution 2.20 Å |
| 1YDT STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH H89 PROTEIN KINASE INHIBITOR N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE Deposited 1996-07-24 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1–350（350 aa）
Fragment：CATALYTIC SUBUNIT
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | IQB N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop
|
Resolution 2.30 Å |
| 2C1A Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide Deposited 2005-09-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | I5S ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.95 Å R-free 0.230 |
| 2C1B Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline Deposited 2005-09-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CQP (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.211 |
| 2F7E PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine Deposited 2005-11-30 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1–351（351 aa）
|
Not recorded | 2EA (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.323 |
| 2F7X Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine Deposited 2005-12-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
0–350（351 aa）
|
Not recorded | 4EA (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.90 Å R-free 0.297 |
| 2F7Z Protein Kinase A bound to (R)-1-(1H-Indol-3-ylmethyl)-2-(2-pyridin-4-yl-[1,7]naphtyridin-5-yloxy)-ehylamine Deposited 2005-12-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
0–350（351 aa）
|
Not recorded | 6EA (1S)-1-(1H-INDOL-3-YLMETHYL)-2-(2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN-5-YLOXY)-EHYLAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 3.00 Å R-free 0.342 |
| 2GFC cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 Deposited 2006-03-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | OCT N-OCTANE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；15 % Methanol, 75 mM LiCl, 30 mM MesBisTris, 1 mM DTT, 0.2 mM EDTA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.87 Å R-free 0.239 |
| 2GNF Protein kinase A fivefold mutant model of Rho-kinase with Y-27632 Deposited 2006-04-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：L49I, V123M, E127D, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) | Y27 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；278 K；Methanol, LiCl, MesBisTris, EDTA, DTT, Mega8, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.28 Å R-free 0.258 |
| 2GNG Protein kinase A fivefold mutant model of Rho-kinase Deposited 2006-04-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：L49I, V123M, E127D, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；Methanol, LiCl, MesBisTris, DTT, EDTA, Mega8, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 1.87 Å R-free 0.258 |
| 2GNH PKA five fold mutant model of Rho-kinase with H1152P Deposited 2006-04-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：L49I, V123M, E127D, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) | H52 (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；LiCl, MesBisTris, EDTA, DTT, Mega8, Methanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.05 Å R-free 0.256 |
| 2GNI PKA fivefold mutant model of Rho-kinase with inhibitor Fasudil (HA1077) Deposited 2006-04-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：L49I, V123M, E127D, Q181K, T183A 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, HANGING DROP；pH 6.5；278 K；Methanol, LiCl, MesBisTris, EDTA, DTT, Mega8, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.27 Å R-free 0.268 |
| 2GNJ PKA three fold mutant model of Rho-kinase with Y-27632 Deposited 2006-04-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：L49I, Q181K, T183A Non-standard monomer：Yes (specific site not provided by mmCIF) | Y27 (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；278 K；LiCl, MesBisTris, EDTA, DTT, Mega8, Methanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.28 Å R-free 0.262 |
| 2GNL PKA threefold mutant model of Rho-kinase with inhibitor H-1152P Deposited 2006-04-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：L49I, Q181K, T183A 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 6.5；278 K；Methanol, LiCl, MesBisTris, DTT, EDTA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.60 Å R-free 0.303 |
| 2JDS Structure of cAMP-dependent protein kinase complexed with A-443654 Deposited 2007-01-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | L20 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.272 |
| 2JDT Structure of PKA-PKB chimera complexed with ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY) ETHYLAMINO)ETHYL)AMIDE Deposited 2007-01-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | I5S ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.15 Å R-free 0.259 |
| 2JDV Structure of PKA-PKB chimera complexed with A-443654 Deposited 2007-01-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | L20 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.08 Å R-free 0.276 |
| 2OH0 Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine Based Inhibitors Deposited 2007-01-09 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1–351（351 aa）
|
Not recorded | 2PY (2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.20 Å R-free 0.320 |
| 2OJF Crystal structure of Protein Kinase A in complex with Pyridine-Pyrazolopyridine based inhibitors Deposited 2007-01-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
1–351（351 aa）
|
Not recorded | 4PY (2S)-1-(6H-INDOL-3-YL)-3-{[5-(7H-PYRAZOLO[3,4-C]PYRIDIN-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；VAPOR DIFFUSION, HANGING DROP
|
Resolution 2.10 Å R-free 0.290 |
| 2UVX Structure of PKA-PKB chimera complexed with 7-azaindole Deposited 2007-03-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | GVH 1H-PYRROLO[2,3-B]PYRIDINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.237 |
| 2UVY Structure of PKA-PKB chimera complexed with methyl-(4-(9H-purin-6-yl)- benzyl)-amine Deposited 2007-03-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | GVI N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.95 Å R-free 0.253 |
| 2UVZ Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine Deposited 2007-03-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | GVJ (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.94 Å R-free 0.245 |
| 2UW0 Structure of PKA-PKB chimera complexed with 6-(4-(4-(4-Chloro-phenyl) -piperidin-4-yl)-phenyl)-9H-purine Deposited 2007-03-15 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | GVK 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-4-YL]PHENYL}-9H-PURINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.248 |
| 2UW3 Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole Deposited 2007-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | GVG 3-METHYL-4-PHENYL-1H-PYRAZOLE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.19 Å R-free 0.252 |
| 2UW4 Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine Deposited 2007-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | L15 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.274 |
| 2UW5 Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine Deposited 2007-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | GVN (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.14 Å R-free 0.259 |
| 2UW6 Structure of PKA-PKB chimera complexed with (S)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine Deposited 2007-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | GVO (2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.23 Å R-free 0.244 |
| 2UW7 Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine Deposited 2007-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | GVP 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.10 Å R-free 0.318 |
| 2UW8 Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine Deposited 2007-03-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–350（350 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | GVQ (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.00 Å R-free 0.233 |
| 2UZT PKA structures of AKT, indazole-pyridine inhibitors Deposited 2007-05-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
15–350（336 aa）
Fragment：RESIDUES 15-350
|
Not recorded | SS3 (2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.10 Å R-free 0.313 |
| 2UZU PKA structures of indazole-pyridine series of AKT inhibitors Deposited 2007-05-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
15–350（336 aa）
Fragment：RESIDUES 15-350
|
Not recorded | L20 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.40 Å R-free 0.371 |
| 2UZV PKA structures of indazole-pyridine series of AKT inhibitors Deposited 2007-05-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
15–350（336 aa）
Fragment：RESIDUES 15-350
|
Not recorded | SS5 (2S)-1-[3-(CYCLOHEXYLMETHOXY)PHENYL]-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.50 Å R-free 0.316 |
| 2UZW PKA structures of indazole-pyridine series of AKT inhibitors Deposited 2007-05-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
15–350（336 aa）
Fragment：RESIDUES 15-350
|
Not recorded | SS4 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.20 Å R-free 0.328 |
| 2VNW Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine Deposited 2008-02-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | M01 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 2.09 Å R-free 0.247 |
| 2VNY Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)amine Deposited 2008-02-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | M02 1-(9H-purin-6-yl)piperidin-4-amine × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.96 Å R-free 0.292 |
| 2VO0 Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine Deposited 2008-02-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 EDO 1,2-ETHANEDIOL × 2 M03 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine × 2 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.94 Å R-free 0.216 |
| 2VO3 Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine Deposited 2008-02-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 M04 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.98 Å R-free 0.246 |
| 2VO6 Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine Deposited 2008-02-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | CL CHLORIDE ION × 1 M05 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium × 1 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.97 Å R-free 0.229 |
| 2VO7 Structure of PKA complexed with 4-(4-Chlorobenzyl)-1-(7H-pyrrolo(2,3- d)pyrimidin-4-yl)piperidin-4-ylamine Deposited 2008-02-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | M05 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium × 2 | X-RAY DIFFRACTION | mmCIF provides none of the parsed conditions | Resolution 1.98 Å R-free 0.241 |
| 3AG9 Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 Deposited 2010-03-26 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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, HANGING DROP；pH 6.5；277 K；Mes-Bis-Tris, LiCl, MeOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.246 |
| 3AG9 Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 Deposited 2010-03-26 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain B
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | A02 (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Mes-Bis-Tris, LiCl, MeOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.246 |
| 3AG9 Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012 Deposited 2010-03-26 | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
Chain B
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | A02 (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；Mes-Bis-Tris, LiCl, MeOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.246 |
| 3BWJ Complex of PKA with the bisubstrate protein kinase inhibitor lead compound Arc-1034 Deposited 2008-01-09 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ARX (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(6-{[(1R)-4-carbamimidamido-1-{[(1R)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}butyl]amino}-6-oxohexyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；279 K；Mes-Bis-Tris, LiCl, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K
|
Resolution 2.30 Å R-free 0.249 |
| 3DND cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 Deposited 2008-07-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | LL2 5-benzyl-1,3-thiazol-2-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；75mM LiCl, 30mM MesBisTris, 1mM DTT, 0.2mM EDTA, pH 6.5, 15% Methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.26 Å R-free 0.253 |
| 3DNE cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 Deposited 2008-07-02 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | LL1 3-pyridin-4-yl-1H-indazole × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；15% Methanol, 75mM LiCl, 30mM MesBisTris, 1mM DTT, 0.2mM EDTA, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.230 |
| 3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.20 Å R-free 0.290 |
| 3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.20 Å R-free 0.290 |
| 3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain C
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.20 Å R-free 0.290 |
| 3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain D
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.20 Å R-free 0.290 |
| 3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.20 Å R-free 0.290 |
| 3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain F
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G96 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.20 Å R-free 0.290 |
| 3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–351（350 aa）
Fragment：CAMP-DEPENDENT PKA kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.00 Å R-free 0.279 |
| 3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain B
2–351（350 aa）
Fragment：CAMP-DEPENDENT PKA kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.00 Å R-free 0.279 |
| 3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
2–351（350 aa）
Fragment：CAMP-DEPENDENT PKA kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.00 Å R-free 0.279 |
| 3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain I
2–351（350 aa）
Fragment：CAMP-DEPENDENT PKA kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.00 Å R-free 0.279 |
| 3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain L
2–351（350 aa）
Fragment：CAMP-DEPENDENT PKA kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.00 Å R-free 0.279 |
| 3E8E Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain P
2–351（350 aa）
Fragment：CAMP-DEPENDENT PKA kinase domain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | G98 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；273 K；13-17% PEG 3K-20K, 100 mM MES pH 6.5 or acetate 4.6, 1-15% methanol. Seeded, pH 4.5 - 6.5, vapor diffusion, temperature 273K
|
Resolution 2.00 Å R-free 0.279 |
| 3KKV Structure of PKA with a protein Kinase B-selective inhibitor. Deposited 2009-11-06 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | B99 (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.4；294 K；Protein stock was at 20mg/ml in 25mM Mes-Bis Tris, pH 6.4, 75mM LiCl, 0.1M EDTA, 1mM DTT.
The final concentration of inhibitor in the protein solution was 1mM from a 100mM stock solution of compound dissolved in DMSO.The protein was reacted with inhibitor on ice for 6 hours prior to crystallization.The final concentration of PKI in the protein solution was 2mM from stock 100mM dissolved in water. The final concentration of MEGA8 in the protein solution was 1.5mM from 225mM stock diluted from 790mM in the Hampton additive kit with water. Two microliters of protein were added to 0.35 microliters of 10% glycerol in buffer and put in sitting drops over 15% methanol diluted with water at 4C. Cryo was 100mM MES pH6.4, 100mM LiCl, 25% MeOH, 20% MPD., VAPOR DIFFUSION, SITTING DROP, temperature 294K
|
Resolution 1.80 Å R-free 0.225 |
| 3ZO1 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SIJ 6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE × 1 GOL GLYCEROL × 4 MOH METHANOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；277 K；25MM MES-BISTRIS PH6.5, 75MM LICL, 1MM DTT, 0.1MM EDTA, 1.5MM MEGA8; 4 DEGREE CELSIUS
|
Resolution 2.00 Å R-free 0.190 |
| 3ZO2 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 15I 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine × 1 GOL GLYCEROL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；277 K；25MM MES-BISTRIS PH6.5, 75MM LICL, 1MM DTT, 0.1MM EDTA, 1.5MM MEGA8; 4 DEGREE CELSIUS
|
Resolution 1.98 Å R-free 0.191 |
| 3ZO3 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | QNI 6-(2,9-DIAZASPIRO[5.5]UNDECAN-2-YL)-9H-PURINE × 1 MOH METHANOL × 7 GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；277 K；25MM MES-BISTRIS PH6.5, 75MM LICL, 1MM DTT, 0.1MM EDTA, 1.5MM MEGA8; 4 DEGREE CELSIUS
|
Resolution 2.10 Å R-free 0.210 |
| 3ZO4 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 QWI 6-(4-PHENYL-1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；277 K；25MM MES-BISTRIS PH6.5, 75MM LICL, 1MM DTT, 0.1MM EDTA, 1.5MM MEGA8; 4 DEGREES CELSIUS
|
Resolution 1.65 Å R-free 0.195 |
| 4AXA Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4- chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethan-1-ol Deposited 2012-06-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | RKD (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 1.90 Å R-free 0.256 |
| 4C33 PKA-S6K1 Chimera Apo Deposited 2013-08-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
|
Resolution 1.70 Å R-free 0.187 |
| 4C34 PKA-S6K1 Chimera with Staurosporine bound Deposited 2013-08-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | STU STAUROSPORINE × 1 GOL GLYCEROL × 1 MG8 N-OCTANOYL-N-METHYLGLUCAMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
|
Resolution 1.78 Å R-free 0.214 |
| 4C35 PKA-S6K1 Chimera with compound 1 (NU1085) bound Deposited 2013-08-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | NU3 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
|
Resolution 2.19 Å R-free 0.240 |
| 4C36 PKA-S6K1 Chimera with compound 15e (CCT147581) bound Deposited 2013-08-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | ZO9 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine × 1 MOH METHANOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
|
Resolution 1.98 Å R-free 0.190 |
| 4C37 PKA-S6K1 Chimera with compound 21a (CCT196539) bound Deposited 2013-08-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | Z21 4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
|
Resolution 1.70 Å R-free 0.179 |
| 4C38 PKA-S6K1 Chimera with compound 21e (CCT239066) bound Deposited 2013-08-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | VUP 4-(1-ethyl-6-methyl-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine × 1 MOH METHANOL × 3 | X-RAY DIFFRACTION |
X-ray crystallization conditions
pH 6.4；18 MG/ML PROTEIN IN 25MM MES-BIS-TRIS PH 6.5, 75MM LICL, 0.1MM EDTA, 1MM MEGA-8, 1MM DTT AND 1MM PKI PEPTIDE MIXED 1:1 WITH 8-16% AQUEOUS METHANOL
|
Resolution 1.58 Å R-free 0.178 |
| 4IE9 Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate Deposited 2012-12-13 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PZX pyridin-3-ylmethyl 5-methyl-1H-pyrazole-3-carboxylate × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.4；278 K；pH 6.4, VAPOR DIFFUSION, temperature 278K
|
Resolution 1.92 Å R-free 0.232 |
| 4IJ9 Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone Deposited 2012-12-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PTV 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；278 K；LiCl, MesBisTris, methanol, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 2.55 Å R-free 0.247 |
| 4YXR CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. Deposited 2015-03-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 0RW 3-methyl-2H-indazole × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；Protein: Mes-Bis-Tris 30mM pH 6,4, Lithium chloride 75mM, Dithiothreitol 1mM, Ethylenediaminetetraacetic acid disodium salt 0,1mM, Mega 8 0,15mM, PKA 10mg/ml Reservoir: Methanol 22%
|
Resolution 2.00 Å R-free 0.252 |
| 4YXS CAMP-DEPENDENT PROTEIN KINASE PKA CATALYTIC SUBUNIT WITH PKI-5-24 Deposited 2015-03-23 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
2–351（350 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | EMU N-BENZYL-9H-PURIN-6-AMINE × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.4；277 K；75MM LICL, 30MM MESBISTRIS, 1MM DTT,
0.2MM EDTA, PH 6.5, 15% METHANOL, PH 6.4, VAPOR DIFFUSION,
HANGING DROP, TEMPERATURE 277K
|
Resolution 2.11 Å R-free 0.232 |
| 4Z83 PKAB3 in complex with pyrrolidine inhibitor 47a Deposited 2015-04-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain E
2–351（350 aa）
|
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) | 4L7 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；The droplets, containing 16 mg/ml PKAB3, 25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide and 0.8 mM PKI peptide, were equilibrated against 12-26 % (v/v) methanol.
|
Resolution 1.80 Å R-free 0.217 |
| 4Z84 PKAB3 in complex with pyrrolidine inhibitor 34a Deposited 2015-04-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：V123A, L173M, Q181K Non-standard monomer：Yes (specific site not provided by mmCIF) | NVX 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one × 1 MOH METHANOL × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；The droplets, containing 16 mg/ml protein 25 mM Bis-Tris-HCl, pH 7.0, 150 mM KCl, 1.5mM octanoyl-N-methylglucamide, 0.8 mM PKI peptide and 1mM of the pyrrolidine inhibitor 34a, were equilibrated against 12-26 % (v/v) methanol.
|
Resolution 1.55 Å R-free 0.234 |
| 5VHB Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor Deposited 2017-04-12 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：T198(TPO), S140(SEP), S339(SEP) Non-standard monomer：Yes (specific site not provided by mmCIF) | 9CY N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.6；277 K；15% methanol
|
Resolution 1.61 Å R-free 0.204 |
| 5VI9 Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors Deposited 2017-04-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Mutation：T198(TPO) Non-standard monomer：Yes (specific site not provided by mmCIF) | 9D4 N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.6；277 K；15% methanol
|
Resolution 1.95 Å R-free 0.256 |
| 5VIB Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors Deposited 2017-04-14 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 9D1 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.6；277 K；15% methanol
|
Resolution 2.37 Å R-free 0.276 |
| 6E99 Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor. Deposited 2018-07-31 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | J0G 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；5 to 27% methanol
|
Resolution 1.88 Å R-free 0.230 |
| 6E9L Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor Deposited 2018-08-01 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | J0P N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.6；277 K；5 to 27% Methanol
|
Resolution 2.80 Å R-free 0.271 |
| 8SF8 Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide Deposited 2023-04-10 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain A
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZWG N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；13 mg/mL PKA
1.25 uL + 1.25 uL
0.85 mM PKI(5-24)
25 mM Bis-Tris pH = 7.0
150 mM KCl
1.5 mM N-octanoyl N-methylglucamide (ONMG)
|
Resolution 1.70 Å R-free 0.220 |
| 9DW4 Dephosphorylated CFTR in 1:1 complex with PKA-C (site II) Deposited 2024-10-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
Chain K
1–351（351 aa）
|
Not recorded | No recorded non-water small molecule | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 9.00 Å |
| 9DW5 Dephosphorylated CFTR in 1:1 complex with PKA-C (site I) Deposited 2024-10-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain G
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å |
| 9DW7 Dephosphorylated CFTR in 1:2 complex with PKA-C Deposited 2024-10-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count |
Chain G
1–351（351 aa）
Chain K
1–351（351 aa）
|
Not recorded | MG MAGNESIUM ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 6.00 Å |
| 9DW8 Dephosphorylated (E1371Q)CFTR in complex with PKA-C Deposited 2024-10-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain G
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | B44 N-(2-phenylethyl)adenosine 5'-(tetrahydrogen triphosphate) × 2 MG MAGNESIUM ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.50 Å |
| 9DW9 Phosphorylated (E1371Q)CFTR in complex with PKA-C Deposited 2024-10-08 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
Chain G
1–351（351 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | CLR CHOLESTEROL × 1 D10 DECANE × 4 MG MAGNESIUM ION × 4 ATP ADENOSINE-5'-TRIPHOSPHATE × 3 CL CHLORIDE ION × 4 UND UNDECANE × 3 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.80 Å |
| 9FQR 96-nm repeat of axonemal doublet microtubules from bovine sperm Deposited 2024-06-21 | Assembly 1 Protein heterocomplex Heteromer；Protein × 1574 PDB declaration: 1574-meric（1574） Consistent with protein count |
Chain Xt
1–351（351 aa）
|
Not recorded | GTP GUANOSINE-5'-TRIPHOSPHATE × 342 MG MAGNESIUM ION × 345 GDP GUANOSINE-5'-DIPHOSPHATE × 345 | ELECTRON MICROSCOPY |
cryo-EM buffer
pH 7.9
cryo-EM vitrification conditions
Cryogen ETHANE-PROPANE
|
Resolution 5.00 Å |