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PDB: 55 件
4WB8
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Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit), exon 1 deletion
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A.
登録日2014-09-02
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
3OVV
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BU of 3ovv by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
分子名称: (2S,3S)-butane-2,3-diol, N'-[(1E)-(4-hydroxyphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Koester, H, Heine, A, Klebe, G.
登録日2010-09-17
公開日2011-09-21
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献fragment based drug design on PKA
To be Published
3POO
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BU of 3poo by Molmil
human cAMP-dependent protein kinase in complex with an inhibitor
分子名称: (2S,3S)-butane-2,3-diol, N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]-2-(3-methoxyphenyl)acetohydrazide, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Koester, H, Heine, A, Klebe, G.
登録日2010-11-23
公開日2011-11-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献fragment based drug design on PKA
To be Published
4WB5
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BU of 4wb5 by Molmil
Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PKI (5-24), ...
著者Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A.
登録日2014-09-02
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
6QJ7
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BU of 6qj7 by Molmil
Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1)
分子名称: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}'-[(2~{S})-2-[3,5-bis(fluoranyl)phenyl]-2-oxidanyl-ethanoyl]-2-ethyl-3-methyl-4-oxidanyl-benzohydrazide
著者Graedler, U.
登録日2019-01-23
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and Glucocorticoid-inducible Kinase 1 (SGK1)
To Be Published
3AMA
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BU of 3ama by Molmil
Protein kinase A sixfold mutant model of Aurora B with inhibitor JNJ-7706621
分子名称: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Pflug, A, de Oliveira, T.M, Bossemeyer, D, Engh, R.A.
登録日2010-08-18
公開日2011-08-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase
Biochem.J., 440, 2011
4UJ1
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Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-07
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.768 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
3AGX
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BU of 3agx by Molmil
Crystal structure of human Hsp40 Hdj1 peptide-binding domain
分子名称: DnaJ homolog subfamily B member 1
著者Suzuki, H, Noguchi, S, Satow, Y.
登録日2010-04-12
公開日2011-02-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Peptide-binding sites as revealed by the crystal structures of the human Hsp40 Hdj1 C-terminal domain in complex with the octapeptide from human Hsp70
Biochemistry, 49, 2010
5IZJ
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Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411
分子名称: 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAR-DAR, 47P-AZ1-DAR-DAR-DAR, ...
著者Pflug, A, Enkvist, E, Uri, A, Engh, R.A.
登録日2016-03-25
公開日2016-07-20
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions.
Bioconjug.Chem., 27, 2016
3AGY
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BU of 3agy by Molmil
Crystal structure of human Hsp40 Hdj1 peptide-binding domain complexed with a C-terminal peptide of Hsp70
分子名称: DnaJ homolog subfamily B member 1, peptide of Heat shock cognate 71 kDa protein
著者Suzuki, H, Noguchi, S, Satow, Y.
登録日2010-04-12
公開日2011-02-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Peptide-binding sites as revealed by the crystal structures of the human Hsp40 Hdj1 C-terminal domain in complex with the octapeptide from human Hsp70
Biochemistry, 49, 2010
4UJ9
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BU of 4uj9 by Molmil
Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-09
公開日2016-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
6FRX
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BU of 6frx by Molmil
PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor
分子名称: cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ~{N}-[3-[(5-chloranyl-2-phenylazanyl-pyrimidin-4-yl)amino]phenyl]prop-2-enamide
著者Engh, R.A, Kazi, A.A.
登録日2018-02-16
公開日2019-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor
To Be Published
3OWP
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BU of 3owp by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
分子名称: (2S)-2-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylethanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Koester, H, Heine, A, Klebe, G.
登録日2010-09-20
公開日2011-09-21
最終更新日2013-03-13
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献fragment based drug design on PKA
To be Published
5BX6
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BU of 5bx6 by Molmil
PKA in complex with a halogenated phthalazinone fragment compound.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-chlorophthalazin-1(2H)-one, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Narayanan, D, Alam, K.A, Engh, R.A.
登録日2015-06-08
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
5BX7
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BU of 5bx7 by Molmil
PKA in complex with a benzothiophene fragment compound.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ...
著者Narayanan, D, Alam, K.A, Engh, R.A.
登録日2015-06-08
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献PKA based studies of ligand interactions with a methionine gatekeeper.
To Be Published
3L9M
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BU of 3l9m by Molmil
Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18
分子名称: (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
4WB7
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BU of 4wb7 by Molmil
Crystal structure of a chimeric fusion of human DnaJ (Hsp40) and cAMP-dependent protein kinase A (catalytic alpha subunit)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, PKI (5-24), ...
著者Cheung, J, Ginter, C, Cassidy, M, Franklin, M.C, Rudolph, M.J, Hendrickson, W.A.
登録日2014-09-02
公開日2015-01-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into mis-regulation of protein kinase A in human tumors.
Proc.Natl.Acad.Sci.USA, 112, 2015
4UJA
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BU of 4uja by Molmil
Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, BROMIDE ION, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-09
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
4UJB
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BU of 4ujb by Molmil
Protein Kinase A in complex with an Inhibitor
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(3S,4R)-4-(3-fluorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ...
著者Alam, K.A, Engh, R.A.
登録日2015-04-09
公開日2016-04-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of Pka and a Pkb Mimic.
Chemistry, 22, 2016
3VQH
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BU of 3vqh by Molmil
Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
著者Pflug, A, Johnson, K.A, Engh, R.A.
登録日2012-03-23
公開日2012-08-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
3L9N
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BU of 3l9n by Molmil
crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27
分子名称: (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3L9L
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BU of 3l9l by Molmil
Crystal structure of pka with compound 36
分子名称: 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Huang, X.
登録日2010-01-05
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
3NX8
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BU of 3nx8 by Molmil
human cAMP dependent protein kinase in complex with phenol
分子名称: PHENOL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Koester, H, Heine, A, Klebe, G.
登録日2010-07-13
公開日2011-07-13
最終更新日2012-02-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Experimental and computational active site mapping as a starting point to fragment-based lead discovery.
Chemmedchem, 7, 2012
3OOG
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BU of 3oog by Molmil
human cAMP-dependent protein kinase in complex with a small fragment
分子名称: 1-(4-hydroxy-3-methylphenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Koester, H, Heine, A, Klebe, G.
登録日2010-08-31
公開日2011-08-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment based drug design on human PKA
To be Published
3AGM
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BU of 3agm by Molmil
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670
分子名称: N~2~-{8-OXO-8-[4-(9H-PURIN-6-YL)PIPERAZIN-1-YL]OCTANOYL}-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGINYL-D-ARGININAMIDE, cAMP-dependent protein kinase catalytic subunit alpha
著者Pflug, A, Ragozina, J, Uri, A, Bossemeyer, D, Engh, R.A.
登録日2010-04-02
公開日2010-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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