4UJ2
 
 | | Protein Kinase A in complex with an Inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | | Authors: | Alam, K.A, Engh, R.A. | | Deposit date: | 2015-04-07 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.019 Å) | | Cite: | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
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3P0M
 | | Human cAMP-dependent protein kinase in complex with an inhibitor | | Descriptor: | (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Koester, H, Heine, A, Klebe, G. | | Deposit date: | 2010-09-29 | | Release date: | 2011-09-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Fragment based drug design on PKA
To be Published
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5N23
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4WB6
 | | Crystal structure of a L205R mutant of human cAMP-dependent protein kinase A (catalytic alpha subunit) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ... | | Authors: | Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A. | | Deposit date: | 2014-09-02 | | Release date: | 2015-01-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3AGL
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039 | | Descriptor: | (10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A. | | Deposit date: | 2010-04-02 | | Release date: | 2010-09-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Diversity of bisubstrate binding modes of adenosine analogue-oligoarginine conjugates in protein kinase a and implications for protein substrate interactions.
J.Mol.Biol., 403, 2010
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5IZF
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408 | | Descriptor: | 6J9-ZEU-DAR-ACA-DAR-NH2, SULFATE ION, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Pflug, A, Enkvist, E, Uri, A, Engh, R.A. | | Deposit date: | 2016-03-25 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
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4AE6
 | | Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit Calpha 2 | | Descriptor: | ACETATE ION, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA 2 | | Authors: | Hereng, T.H, Backe, P.H, Kahmann, J, Scheich, C, Bjoras, M, Skalhegg, B.S, Rosendal, K.R. | | Deposit date: | 2012-01-09 | | Release date: | 2012-04-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase a (Pka) Catalytic Subunit Calpha2
J.Struct.Biol., 178, 2012
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3OXT
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2GU8
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3AMB
 | | Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680 | | Descriptor: | CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Pflug, A, de Oliveira, T.M, Bossemeyer, D, Engh, R.A. | | Deposit date: | 2010-08-18 | | Release date: | 2011-08-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase
Biochem.J., 440, 2011
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7Y1G
 | | Crystal structure of human PRKACA complexed with DS01080522 | | Descriptor: | 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Suzuki, M, Ubukata, O, Toyoda, A. | | Deposit date: | 2022-06-08 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
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5UZK
 | | Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor | | Descriptor: | 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Jacobs, M.D, Brown, K. | | Deposit date: | 2017-02-26 | | Release date: | 2018-03-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
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4AE9
 | | Structure and function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit C alpha 2 | | Descriptor: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA | | Authors: | Hereng, T.H, Backe, P.H, Kahmann, J, Scheich, C, Bjoras, M, Skalhegg, B.S, Rosendal, K.R. | | Deposit date: | 2012-01-09 | | Release date: | 2012-04-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase a (Pka) Catalytic Subunit Calpha2
J.Struct.Biol., 178, 2012
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8FE2
 | | Structure of J-PKAc chimera complexed with Aplithianine A | | Descriptor: | 6-[(6M)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-9H-purine, DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Du, L, Wilson, B.A.P, Li, N, Dalilian, M, Wang, D, Martinez Fiesco, J.A, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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3MVJ
 | | Human cyclic AMP-dependent protein kinase PKA inhibitor complex | | Descriptor: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Pandit, J, Vajdos, F. | | Deposit date: | 2010-05-04 | | Release date: | 2010-06-02 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Design of selective, ATP-competitive inhibitors of Akt.
J.Med.Chem., 53, 2010
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8FE5
 | | Structure of J-PKAc chimera complexed with Aplithianine B | | Descriptor: | 6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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3AGZ
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7NDX
 | | Crystal structure of the human HSP40 DNAJB1-CTDs in complex with a peptide of NudC | | Descriptor: | 1,2-ETHANEDIOL, DnaJ homolog subfamily B member 1, Nuclear migration protein nudC | | Authors: | Delhommel, F, Zak, K.M, Popowicz, G.M, Sattler, M. | | Deposit date: | 2021-02-02 | | Release date: | 2022-01-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.541 Å) | | Cite: | NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems.
Mol.Cell, 82, 2022
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5J5X
 | | Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416 | | Descriptor: | 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAL-DAR-DAR-DAR-DAR, SULFATE ION, ... | | Authors: | Alam, K.A, Ivan, T, Uri, A, Engh, R.A. | | Deposit date: | 2016-04-04 | | Release date: | 2016-07-20 | | Last modified: | 2019-06-19 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
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6C0U
 | | Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, PHOSPHATE ION, ... | | Authors: | Qin, L, Sankaran, B, Kim, C. | | Deposit date: | 2018-01-02 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
J. Biol. Chem., 293, 2018
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8FEC
 | | Structure of J-PKAc chimera complexed with Aplithianine derivative | | Descriptor: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-06 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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2QLD
 | | human Hsp40 Hdj1 | | Descriptor: | DnaJ homolog subfamily B member 1 | | Authors: | Hu, J, Wu, Y, Li, J, Fu, Z, Sha, B. | | Deposit date: | 2007-07-12 | | Release date: | 2008-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The crystal structure of the putative peptide-binding fragment from the human Hsp40 protein Hdj1.
Bmc Struct.Biol., 8, 2008
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8X5L
 | | The Crystal Structure of PRKACA from Biortus. | | Descriptor: | (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W. | | Deposit date: | 2023-11-17 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The Crystal Structure of PRKACA from Biortus.
To Be Published
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6NO7
 | | Crystal Structure of the full-length wild-type PKA RIa Holoenzyme | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Lu, T, Wu, J, Taylor, S.S. | | Deposit date: | 2019-01-15 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.55 Å) | | Cite: | Two PKA RI alpha holoenzyme states define ATP as an isoform-specific orthosteric inhibitor that competes with the allosteric activator, cAMP.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6BYR
 | | Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PKAc alpha | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha chimera, MAGNESIUM ION, ... | | Authors: | Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P. | | Deposit date: | 2017-12-21 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.661 Å) | | Cite: | Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha.
Structure, 27, 2019
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