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PDB: 84 件
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
5BPL
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Crystal structure of ADP and Pi bound human Hsp70 NBD mutant R272K.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-28
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BPN
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Crystal structure of nucleotide-free human Hsp70 NBD double mutant E268Q+R272K.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-28
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BX6
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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
5BPM
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Crystal structure of unhydrolyzed ATP bound human Hsp70 NBD double mutant E268Q+R272K.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-28
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BN9
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Crystal structure of ADP bound human Hsp70 NBD mutant R272K.
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-25
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BX7
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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
4D1Z
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CDK2 in complex with a Luciferin derivate
分子名称: (4S)-2-(8-hydroxyquinolin-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, CYCLIN-DEPENDENT KINASE 2
著者Rothweiler, U, Engh, R.A.
登録日2014-05-05
公開日2015-03-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献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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CDK2 in complex with Luciferin
分子名称: (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid, CYCLIN-DEPENDENT KINASE 2
著者Rothweiler, U, Engh, R.A.
登録日2014-05-05
公開日2015-03-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Luciferin and Derivatives as a Dyrk Selective Scaffold for the Design of Protein Kinase Inhibitors.
Eur.J.Med.Chem., 94, 2015
1XH9
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Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: (R,R)-2,3-BUTANEDIOL, N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH5
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Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: (R,R)-2,3-BUTANEDIOL, N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH7
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Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-[4-({4-[5-(3,3-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1VEB
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Crystal Structure of Protein Kinase A in Complex with Azepane Derivative 5
分子名称: (3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-3-METHOXY-BENZOYL)-BENZYLOXY]-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2023-12-27
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure-based optimization of novel azepane derivatives as PKB inhibitors
J.Med.Chem., 47, 2004
1XH4
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BU of 1xh4 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH8
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BU of 1xh8 by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XHA
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BU of 1xha by Molmil
Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1XH6
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Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants
分子名称: N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ...
著者Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B.
登録日2004-09-17
公開日2005-09-17
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
1WQJ
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Structural Basis for the Regulation of Insulin-Like Growth Factors (IGFs) by IGF Binding Proteins (IGFBPs)
分子名称: Insulin-like growth factor IB, Insulin-like growth factor binding protein 4
著者Siwanowicz, I, Popowicz, G.M, Wisniewska, M, Huber, R, Kuenkele, K.P, Lang, K, Engh, R.A, Holak, T.A.
登録日2004-09-29
公開日2005-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the regulation of insulin-like growth factors by IGF binding proteins
Structure, 13, 2005
1WYX
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The Crystal Structure of the p130Cas SH3 Domain at 1.1 A Resolution
分子名称: 1,2-ETHANEDIOL, CRK-associated substrate, MAGNESIUM ION
著者Wisniewska, M, Bossenmaier, B, Georges, G, Hesse, F, Dangl, M, Kuenkele, K.P, Ioannidis, I, Huber, R, Engh, R.A.
登録日2005-02-17
公開日2005-04-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献The 1.1 A resolution crystal structure of the p130cas SH3 domain and ramifications for ligand selectivity
J.Mol.Biol., 347, 2005
1YOJ
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Crystal structure of Src kinase domain
分子名称: proto-oncogene tyrosine-protein kinase SRC
著者Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
登録日2005-01-27
公開日2006-01-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005
1YOL
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Crystal structure of Src kinase domain in complex with CGP77675
分子名称: 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OL, Proto-oncogene tyrosine-protein kinase Src
著者Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
登録日2005-01-27
公開日2006-01-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005
1YOM
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Crystal structure of Src kinase domain in complex with Purvalanol A
分子名称: 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL, Proto-oncogene tyrosine-protein kinase Src
著者Breitenlechner, C.B, Kairies, N.A, Honold, K, Scheiblich, S, Koll, H, Greiter, E, Koch, S, Schaefer, W, Huber, R, Engh, R.A.
登録日2005-01-27
公開日2006-01-27
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of active SRC kinase domain complexes
J.Mol.Biol., 353, 2005
3VQH
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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
3W2C
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Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XV
分子名称: 2-{4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-1-yl}-N-(3-methylbutyl)acetamide, Aurora kinase A
著者Oliveira, T.M, Kairies, N.A, Engh, R.A.
登録日2012-11-28
公開日2014-02-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.45 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
3W18
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Structure of Aurora kinase A complexed to benzoimidazole-indazole inhibitor XIII
分子名称: 2-{3-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide, Aurora kinase A
著者Oliveira, T.M, Kairies, N.A, Engh, R.A.
登録日2012-11-09
公開日2014-02-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 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

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