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1CDK
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BU of 1cdk by Molmil
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
Descriptor: CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ...
Authors:Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R.
Deposit date:1994-07-04
Release date:1995-10-15
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24).
EMBO J., 12, 1993
4UJA
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BU of 4uja by Molmil
Protein Kinase A in complex with an Inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 7-{(3S,4R)-4-[(5-bromothiophen-2-yl)carbonyl]pyrrolidin-3-yl}quinazolin-4(3H)-one, BROMIDE ION, ...
Authors:Alam, K.A, Engh, R.A.
Deposit date:2015-04-09
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.93 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
4UJ9
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BU of 4uj9 by Molmil
Protein Kinase A in complex with an Inhibitor
Descriptor: (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, ...
Authors:Alam, K.A, Engh, R.A.
Deposit date:2015-04-09
Release date:2016-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.87 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
4UJB
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BU of 4ujb by Molmil
Protein Kinase A in complex with an Inhibitor
Descriptor: (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, ...
Authors:Alam, K.A, Engh, R.A.
Deposit date:2015-04-09
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.949 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
4UJ1
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BU of 4uj1 by Molmil
Protein Kinase A in complex with an Inhibitor
Descriptor: (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, ...
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 (1.768 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
4UJ2
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BU of 4uj2 by Molmil
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
4D1Z
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BU of 4d1z by Molmil
CDK2 in complex with a Luciferin derivate
Descriptor: (4S)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, CYCLIN-DEPENDENT KINASE 2
Authors:Rothweiler, U, Engh, R.A.
Deposit date:2014-05-05
Release date:2015-03-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Luciferin and Derivatives as a Dyrk Selective Scaffold for the Design of Protein Kinase Inhibitors.
Eur.J.Med.Chem., 94, 2015
4D1X
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BU of 4d1x by Molmil
CDK2 in complex with Luciferin
Descriptor: (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, CYCLIN-DEPENDENT KINASE 2
Authors:Rothweiler, U, Engh, R.A.
Deposit date:2014-05-05
Release date:2015-03-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Luciferin and Derivatives as a Dyrk Selective Scaffold for the Design of Protein Kinase Inhibitors.
Eur.J.Med.Chem., 94, 2015
3VQH
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BU of 3vqh by Molmil
Bromine SAD partially resolves multiple binding modes for PKA inhibitor H-89
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Pflug, A, Johnson, K.A, Engh, R.A.
Deposit date:2012-03-23
Release date:2012-08-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Anomalous dispersion analysis of inhibitor flexibility: a case study of the kinase inhibitor H-89
Acta Crystallogr.,Sect.F, 68, 2012
3W2C
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BU of 3w2c by Molmil
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV
Descriptor: 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-28
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of aurora A accompanying inhibitor binding
To be Published
3W16
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BU of 3w16 by Molmil
Structure of Aurora kinase A complexed to pyrazole-aminoquinoline inhibitor III
Descriptor: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-07
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
3W10
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BU of 3w10 by Molmil
Aurora kinase A complexed to pyrazole aminoquinoline I
Descriptor: 1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-06
Release date:2014-02-05
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
3W18
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BU of 3w18 by Molmil
Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XIII
Descriptor: 2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide, Aurora kinase A
Authors:Oliveira, T.M, Kairies, N.A, Engh, R.A.
Deposit date:2012-11-09
Release date:2014-02-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
1STC
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BU of 1stc by Molmil
CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH STAUROSPORINE
Descriptor: CAMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR, STAUROSPORINE
Authors:Prade, L, Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D.
Deposit date:1997-10-10
Release date:1998-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential.
Structure, 5, 1997
2GNI
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BU of 2gni by Molmil
PKA fivefold mutant model of Rho-kinase with inhibitor Fasudil (HA1077)
Descriptor: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, 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 (2.27 Å)
Cite:Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNL
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BU of 2gnl by Molmil
PKA threefold mutant model of Rho-kinase with inhibitor H-1152P
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, 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 (2.6 Å)
Cite:Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNF
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BU of 2gnf by Molmil
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
2GNG
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BU of 2gng by Molmil
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
2GNJ
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BU of 2gnj by Molmil
PKA three fold 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
2GNH
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BU of 2gnh by Molmil
PKA five fold mutant model of Rho-kinase with H1152P
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, 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 (2.05 Å)
Cite:Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
3OHT
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BU of 3oht by Molmil
Crystal Structure of Salmo Salar p38alpha
Descriptor: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, SULFATE ION, p38a
Authors:Rothweiler, U, Johnson, K, Engh, R.A.
Deposit date:2010-08-18
Release date:2011-06-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:p38alpha MAP kinase dimers with swapped activation segments and a novel catalytic loop conformation
J.Mol.Biol., 411, 2011
3P9J
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BU of 3p9j by Molmil
Aurora A kinase domain with phthalazinone pyrazole inhibitor
Descriptor: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one, Serine/threonine-protein kinase 6
Authors:Kairies, N.A, Oliveira, T, Engh, R.A.
Deposit date:2010-10-17
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of aurora-a kinase.
J.Med.Chem., 54, 2011
1SZM
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BU of 1szm by Molmil
DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA)
Descriptor: 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE, cAMP-dependent protein kinase, alpha-catalytic subunit
Authors:Gassel, M, Breitenlechner, C.B, Koenig, N, Huber, R, Engh, R.A, Bossemeyer, D.
Deposit date:2004-04-06
Release date:2004-06-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The protein kinase C inhibitor bisindolyl maleimide 2 binds with reversed orientations to different conformations of protein kinase a.
J.Biol.Chem., 279, 2004
3AGL
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BU of 3agl by Molmil
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
3AMA
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BU of 3ama by Molmil
Protein kinase A sixfold mutant model of Aurora B with inhibitor JNJ-7706621
Descriptor: 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
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 (1.75 Å)
Cite:Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase
Biochem.J., 440, 2011

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