4DG3
 
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4DH7
 | | Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, AMP-PNP and IP20' | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2012-01-27 | | Release date: | 2012-06-27 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
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7PNS
 | | Protein kinase A catalytic subunit in complex with PKI5-24 and EN081 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-azanyl-6-[5-[(dimethylamino)methyl]-2-fluoranyl-phenyl]-1H-indole-3-carbonitrile, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Glinca, S, Mueller, J.M, Ruf, M, Merkl, S. | | Deposit date: | 2021-09-07 | | Release date: | 2022-09-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.855 Å) | | Cite: | Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.
J.Med.Chem., 65, 2022
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7AXT
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6F14
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with isoquinoline and PKI (5-24) | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ISOQUINOLINE, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Oebbeke, M, Wienen-Schmidt, B, Heine, A, Klebe, G. | | Deposit date: | 2017-11-21 | | Release date: | 2018-12-12 | | Method: | X-RAY DIFFRACTION (1.867 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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2GNG
 | | Protein kinase A fivefold mutant model of Rho-kinase | | Descriptor: | cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, alpha-catalytic subunit | | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | Deposit date: | 2006-04-10 | | Release date: | 2006-05-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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6YNR
 | | Crystal structure of the cAMP-dependent protein kinase A in complex with 1,7-Naphthyridin-8-amine (soaked) and PKI (5-24) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,7-naphthyridin-8-amine, DIMETHYL SULFOXIDE, ... | | Authors: | Oebbeke, M, Heine, A, Klebe, G. | | Deposit date: | 2020-04-14 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses.
Chemmedchem, 16, 2021
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3OW3
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-09-17 | | Release date: | 2010-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3QAM
 | | Crystal Structure of Glu208Ala mutant of catalytic subunit of cAMP-dependent protein kinase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein kinase inhibitor, ... | | Authors: | Yang, J, Wu, J, Steichen, J, Taylor, S.S. | | Deposit date: | 2011-01-11 | | Release date: | 2011-12-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A conserved Glu-Arg salt bridge connects coevolved motifs that define the eukaryotic protein kinase fold.
J.Mol.Biol., 415, 2012
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6Y2U
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with aminofasudil and PKI (5-24) | | Descriptor: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | | Deposit date: | 2020-02-17 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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6YOT
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3ZO2
 | | The Synthesis and Evaluation of Diazaspirocyclic Protein Kinase Inhibitors | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-(2,9-Diazaspiro[5.5]undecan-9-yl)-9H-purine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | | Authors: | Allen, C.E, Chow, C.L, Caldwell, J.J, Westwood, I.M, van Montfort, R.L, Collins, I. | | Deposit date: | 2013-02-20 | | Release date: | 2013-03-06 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.
Bioorg. Med. Chem., 21, 2013
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4DG2
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1APM
 | | 2.0 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PEPTIDE INHIBITOR AND DETERGENT | | Descriptor: | N-OCTANE, PEPTIDE INHIBITOR PKI(5-24), cAMP-DEPENDENT PROTEIN KINASE | | Authors: | Knighton, D.R, Bell, S.M, Zheng, J, Teneyck, L.F, Xuong, N.-H, Taylor, S.S, Sowadski, J.M. | | Deposit date: | 1993-01-18 | | Release date: | 1993-04-15 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 2.0 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with a peptide inhibitor and detergent.
Acta Crystallogr.,Sect.D, 49, 1993
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4DG0
 | | Crystal structure of myristoylated WT catalytic subunit of cAMP-dependent protein kinase in complex with SP20 and AMP-PNP | | Descriptor: | MAGNESIUM ION, MYRISTIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Bastidas, A.C, Steichen, J.M, Taylor, S.S. | | Deposit date: | 2012-01-24 | | Release date: | 2012-06-06 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Role of N-terminal myristylation in the structure and regulation of cAMP-dependent protein kinase.
J.Mol.Biol., 422, 2012
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4DFZ
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4DH1
 | | Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with low Mg2+, ATP and IP20 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2012-01-27 | | Release date: | 2012-06-27 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
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6Y2O
 | | Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 1,7-Naphthyridin-8-amine and PKI (5-24) | | Descriptor: | 1,7-naphthyridin-8-amine, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Oebbeke, M, Heine, A, Klebe, G. | | Deposit date: | 2020-02-17 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding
To Be Published
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4HPT
 | | Crystal structure of the catalytic subunit of cAMP-dependent protein kinase displaying complete phosphoryl transfer of AMP-PNP onto a substrate peptide | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Bastidas, A.C, Steichen, J.M, Wu, J, Taylor, S.S. | | Deposit date: | 2012-10-24 | | Release date: | 2013-03-20 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Phosphoryl transfer by protein kinase a is captured in a crystal lattice.
J.Am.Chem.Soc., 135, 2013
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4DH3
 | | Low temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ATP and IP20 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2012-01-27 | | Release date: | 2012-06-27 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
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4DH5
 | | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, ADP, Phosphate, and IP20 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2012-01-27 | | Release date: | 2012-06-27 | | Last modified: | 2013-01-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
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1ATP
 | | 2.2 angstrom refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MNATP and a peptide inhibitor | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PEPTIDE INHIBITOR PKI(5-24), ... | | Authors: | Zheng, J, Trafny, E.A, Knighton, D.R, Xuong, N.-H, Taylor, S.S, Teneyck, L.F, Sowadski, J.M. | | Deposit date: | 1993-01-08 | | Release date: | 1993-04-15 | | Last modified: | 2019-08-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 2.2 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MnATP and a peptide inhibitor.
Acta Crystallogr.,Sect.D, 49, 1993
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2GNF
 | | Protein kinase A fivefold mutant model of Rho-kinase with Y-27632 | | Descriptor: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | Deposit date: | 2006-04-10 | | Release date: | 2006-05-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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4DH8
 | | Room temperature X-ray structure of cAMP dependent Protein Kinase A catalytic subunit with high Mg2+, AMP-PNP and IP20 | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Kovalevsky, A.Y, Langan, P. | | Deposit date: | 2012-01-27 | | Release date: | 2012-06-27 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Low- and room-temperature X-ray structures of protein kinase A ternary complexes shed new light on its activity.
Acta Crystallogr.,Sect.D, 68, 2012
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2QUR
 | | Crystal Structure of F327A/K285P Mutant of cAMP-dependent Protein Kinase | | Descriptor: | 20-mer fragment from cAMP-dependent protein kinase inhibitor alpha, ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase, ... | | Authors: | Taylor, S.S, Yang, J, Wu, J. | | Deposit date: | 2007-08-06 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Contribution of non-catalytic core residues to activity and regulation in protein kinase A.
J.Biol.Chem., 284, 2009
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