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PDB: 84 件
3OHT
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Crystal Structure of Salmo Salar p38alpha
分子名称: 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
著者Rothweiler, U, Johnson, K, Engh, R.A.
登録日2010-08-18
公開日2011-06-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献p38alpha MAP kinase dimers with swapped activation segments and a novel catalytic loop conformation
J.Mol.Biol., 411, 2011
3AG9
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Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1012
分子名称: (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, cAMP-dependent protein kinase catalytic subunit alpha
著者Pflug, A, Lavogina, D, Uri, A, Engh, R.A, Bossemeyer, D.
登録日2010-03-26
公開日2010-09-01
最終更新日2023-08-30
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
3AMB
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Protein kinase A sixfold mutant model of Aurora B with inhibitor VX-680
分子名称: 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
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 (2.25 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of Aurora kinase
Biochem.J., 440, 2011
3AMA
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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
3AGM
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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
3AGL
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Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1039
分子名称: (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
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2023-08-30
実験手法X-RAY DIFFRACTION (2.1 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
3P9J
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Aurora A kinase domain with phthalazinone pyrazole inhibitor
分子名称: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one, Serine/threonine-protein kinase 6
著者Kairies, N.A, Oliveira, T, Engh, R.A.
登録日2010-10-17
公開日2011-03-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of aurora-a kinase.
J.Med.Chem., 54, 2011
3W16
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Structure of Aurora kinase A complexed to pyrazole-aminoquinoline inhibitor III
分子名称: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one, Aurora kinase A
著者Oliveira, T.M, Kairies, N.A, Engh, R.A.
登録日2012-11-07
公開日2014-02-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献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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Aurora kinase A complexed to pyrazole aminoquinoline I
分子名称: 1-(3-methoxyphenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine, Aurora kinase A
著者Oliveira, T.M, Kairies, N.A, Engh, R.A.
登録日2012-11-06
公開日2014-02-05
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Flexibility and multiple conformations of the activation and glycine rich loops of Aurora A accompanying inhibitor binding
To be Published
2GNI
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BU of 2gni by Molmil
PKA fivefold mutant model of Rho-kinase with inhibitor Fasudil (HA1077)
分子名称: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ...
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-04-10
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNL
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PKA threefold mutant model of Rho-kinase with inhibitor H-1152P
分子名称: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ...
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-04-10
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNH
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PKA five fold mutant model of Rho-kinase with H1152P
分子名称: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ...
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-04-10
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNG
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Protein kinase A fivefold mutant model of Rho-kinase
分子名称: cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, alpha-catalytic subunit
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-04-10
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
2GNJ
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PKA three fold mutant model of Rho-kinase with Y-27632
分子名称: (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ...
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-04-10
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献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
分子名称: (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ...
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-04-10
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
1SZM
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BU of 1szm by Molmil
DUAL BINDING MODE OF BISINDOLYLMALEIMIDE 2 TO PROTEIN KINASE A (PKA)
分子名称: 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
著者Gassel, M, Breitenlechner, C.B, Koenig, N, Huber, R, Engh, R.A, Bossemeyer, D.
登録日2004-04-06
公開日2004-06-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The protein kinase C inhibitor bisindolyl maleimide 2 binds with reversed orientations to different conformations of protein kinase a.
J.Biol.Chem., 279, 2004
2GFC
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cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24
分子名称: N-OCTANE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ...
著者Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D.
登録日2006-03-21
公開日2006-05-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural Analysis of Protein Kinase A Mutants with Rho-kinase Inhibitor Specificity.
J.Biol.Chem., 281, 2006
1CDK
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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
分子名称: CAMP-DEPENDENT PROTEIN KINASE, MANGANESE (II) ION, MYRISTIC ACID, ...
著者Bossemeyer, D, Engh, R.A, Kinzel, V, Ponstingl, H, Huber, R.
登録日1994-07-04
公開日1995-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
1JJ9
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Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition
分子名称: 2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE, CALCIUM ION, Matrix Metalloproteinase 8, ...
著者Brandstetter, H, Grams, F, Glitz, D, Lang, A, Huber, R, Bode, W, Krell, H.-W, Engh, R.A.
登録日2001-07-04
公開日2001-08-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The 1.8-A crystal structure of a matrix metalloproteinase 8-barbiturate inhibitor complex reveals a previously unobserved mechanism for collagenase substrate recognition.
J.Biol.Chem., 276, 2001
1Q62
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PKA double mutant model of PKB
分子名称: cAMP-dependent protein kinase inhibitor, alpha form, cAMP-dependent protein kinase, ...
著者Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A.
登録日2003-08-12
公開日2003-09-30
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
1Q24
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PKA double mutant model of PKB in complex with MgATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, cAMP-dependent Protein Kinase Inhibitor, ...
著者Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A.
登録日2003-07-23
公開日2003-08-19
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
1STC
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BU of 1stc by Molmil
CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH STAUROSPORINE
分子名称: CAMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR, STAUROSPORINE
著者Prade, L, Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D.
登録日1997-10-10
公開日1998-02-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential.
Structure, 5, 1997
1SVG
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Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 4
分子名称: CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ALPHA FORM, N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZOYLAMINO]-AZEPAN-3-YL}ISONICOTINAMIDE, ...
著者Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.-G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B.
登録日2004-03-29
公開日2005-03-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
1Q61
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PKA triple mutant model of PKB
分子名称: N-OCTANOYL-N-METHYLGLUCAMINE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Gassel, M, Breitenlechner, C.B, Rueger, P, Jucknischke, U, Schneider, T, Huber, R, Bossemeyer, D, Engh, R.A.
登録日2003-08-12
公開日2003-09-30
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Mutants of protein kinase A that mimic the ATP-binding site of protein kinase B (AKT)
J.Mol.Biol., 329, 2003
1SVH
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Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 8
分子名称: (3R,4S)-N-(4-{TRANS-2-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-PHENYL]-VINYL}-AZEPAN-3-YL)-ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Breitenlechner, C.B, Wegge, T, Berillon, L, Graul, K, Marzenell, K, Friebe, W.G, Thomas, U, Schumacher, R, Huber, R, Engh, R.A, Masjost, B.
登録日2004-03-29
公開日2005-03-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004

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