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2uzv

PKA structures of indazole-pyridine series of AKT inhibitors

Method: X-RAY DIFFRACTION Dmax: 66.1 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA,

OrganismNot specified

UniProt Q3SX13

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 2； UniProt 5–24 Fragment：RESIDUES 5-24 CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT × 1 （P00517） 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 experimental conditions Resolution 2.50 Å R-free 0.316

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 2UZV Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
2UZT PKA structures of AKT, indazole-pyridine inhibitors Deposited 2007-05-01 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 5–24（20 aa） Fragment：RESIDUES 5-24
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 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 5–24（20 aa） Fragment：RESIDUES 5-24
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
2UZW PKA structures of indazole-pyridine series of AKT inhibitors Deposited 2007-05-01 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 5–24（20 aa） Fragment：RESIDUES 5-24
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
3E8C Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors Deposited 2008-08-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain J 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain K 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain L 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain J 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain N 6–25（20 aa）
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain Q 6–25（20 aa）
Not recorded 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
3ZO1 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–23（18 aa） Fragment：RESIDUES 6-23
Not recorded 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
3ZO3 The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors Deposited 2013-02-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–23（18 aa） Fragment：RESIDUES 6-23
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–25（20 aa） Fragment：RESIDUES 6-25
Not recorded 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
4C33 PKA-S6K1 Chimera Apo Deposited 2013-08-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–23（18 aa） Fragment：RESIDUES 6-23
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–23（18 aa） Fragment：RESIDUES 6-23
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–23（18 aa） Fragment：RESIDUES 6-23
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–25（20 aa） Fragment：RESIDUES 6-25
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–25（20 aa） Fragment：RESIDUES 5-24
Not recorded 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
4YXR CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. Deposited 2015-03-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain I 6–25（20 aa）
Not recorded 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
5VHB Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor Deposited 2017-04-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 6–23（18 aa） Fragment：UNP residues 6-23
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 6–23（18 aa） Fragment：UNP residues 6-23
Not recorded 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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 6–23（18 aa） Fragment：UNP residues 6-23
Not recorded 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
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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 6–25（20 aa）
Not recorded 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

18 other PDB entries and 28 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name IPKA_BOVIN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain 2； PDBConstruct 1–20； UniProt 5–24

CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT

BOS TAURUS

UniProt P00517

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 15–350 Fragment：RESIDUES 15-350 CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, × 1 （Q3SX13） 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 experimental conditions Resolution 2.50 Å R-free 0.316

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 2UZV Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and 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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification 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 1–350（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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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
2UZW PKA structures of indazole-pyridine series of AKT inhibitors Deposited 2007-05-01 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion 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) 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 Different construct Different mutation/modification 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, 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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification 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 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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification 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) 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 Different construct Different mutation/modification 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) 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 Different construct Different mutation/modification 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) 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 Different construct Different mutation/modification 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 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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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) 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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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）
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 Different construct Different mutation/modification 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) 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 Different construct Different mutation/modification 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) 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 Different construct Different mutation/modification 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) 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 Different construct Different mutation/modification 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) 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 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
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 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
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 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 1574 PDB declaration: 1574-meric
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

97 other PDB entries and 111 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KAPCA_BOVIN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain A； PDBConstruct 1–336； UniProt 15–350

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 2uzv

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2uzv
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2uzv
Deposition date deposition_date2007-05-01
Structure title titlePKA structures of indazole-pyridine series of AKT inhibitors
Keywords keywords;CAMP, KINASE, MYRISTATE, TRANSFERASE, LIPOPROTEIN, SERINE/THREONINE-PROTEIN KINASE, PHOSPHORYLATION, PROTEIN KINASE A, NUCLEOTIDE-BINDING, ATP-BINDING, AKT INHIBITORS, NUCLEAR PROTEIN ;; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier21.32 Å
Radius of gyration Rg (electron density) rg_electron20.00 Å
Forward intensity I(0) i027179100.00
Molecular weight molecular_weight41780.0 kDa
Excluded volume excluded_volume53037 ų
Envelope volume envelope_volume59747 ų
Hydration-shell volume shell_volume24201 ų
Envelope diameter envelope_diameter68.7 Å
Shell Rg shell_rg27.25 Å
Envelope Rg envelope_rg20.23 Å
Shape Rg shape_rg19.96 Å
Total Rg total_rg21.08 Å
Total atoms total_atoms2959
Residues n_residues356
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax66.1 Å
Rg (real space) rg_real21.17 Å
Rg uncertainty (real space) rg_real_error0.30 Å
I(0) (real space) i0_real2.7180e+07
I(0) uncertainty (real space) i0_real_error3.2090e+05
Rg (reciprocal space) rg_reciprocal21.20 Å
I(0) (reciprocal space) i0_reciprocal27180000.0000
Solution quality estimate total_estimate0.8996
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.2 Å
Skewness Skewness skewness0.153
Kurtosis Kurtosis kurtosis-0.423
Angular range angular_range— – 0.3750 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha8267000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.901; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.999
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd2uzva_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit

CATH v4.4 (2 domains)

Domain ID domain_id2uzvA01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id2uzvA02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
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8. Citations (1)

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9. Files and Curves (10)