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3L8X
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P38 alpha kinase complexed with a pyrazolo-pyrimidine based inhibitor
分子名称: Mitogen-activated protein kinase 14, N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
著者Sack, J.S.
登録日2010-01-04
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pyrazolo-Pyrimidines: A Novel Heterocyclic Scaffold for Potent and Selective P38 Alpha Inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4G31
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BU of 4g31 by Molmil
Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution
分子名称: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL
著者Gampe, R.T, Axten, J.M.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
4G3E
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BU of 4g3e by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 6-alkynylindoline (cmp1)
分子名称: (2R)-4-[1-(2-amino-5-chloropyrimidin-4-yl)-2,3-dihydro-1H-indol-6-yl]-2-(1,3-thiazol-2-yl)but-3-yn-2-ol, NF-kappa-beta-inducing kinase, SULFATE ION
著者Hymowitz, S.G, de Leon-Boenig, G.
登録日2012-07-13
公開日2012-08-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4FT7
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BU of 4ft7 by Molmil
Crystal Structure of the CHK1
分子名称: 1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTJ
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BU of 4ftj by Molmil
Crystal Structure of the CHK1
分子名称: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
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
3LFF
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BU of 3lff by Molmil
Human p38 MAP Kinase in Complex with RL166
分子名称: (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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
4FSQ
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BU of 4fsq by Molmil
Crystal Structure of the CHK1
分子名称: 4'-(6,7-dimethoxyindeno[1,2-c]pyrazol-3-yl)biphenyl-4-ol, SULFATE ION, Serine/threonine-protein kinase Chk1
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FT0
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BU of 4ft0 by Molmil
Crystal Structure of the CHK1
分子名称: 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-3-yl)benzoic acid, ISOPROPYL ALCOHOL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTT
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BU of 4ftt by Molmil
Crystal Structure of the CHK1
分子名称: ISOPROPYL ALCOHOL, SULFATE ION, Serine/threonine-protein kinase Chk1, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-28
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
3LFE
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BU of 3lfe by Molmil
Human p38 MAP Kinase in Complex with RL116
分子名称: 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
4FTQ
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BU of 4ftq by Molmil
Crystal Structure of the CHK1
分子名称: 5-{7-ethyl-6-[(3S)-tetrahydrofuran-3-yloxy]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl}pyridine-2-carbonitrile, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4G3F
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BU of 4g3f by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to a 2-(aminothiazoly)phenol (cmp2)
分子名称: 3-{2-[(5-fluoro-2-hydroxyphenyl)amino]-1,3-thiazol-4-yl}benzonitrile, NF-kappa-beta-inducing kinase
著者Hymowitz, S.G, de Leon-Boenig, G.
登録日2012-07-13
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.642 Å)
主引用文献The crystal structure of the catalytic domain of the NF-kappaB inducing kinase reveals a narrow but flexible active site.
Structure, 20, 2012
4FV3
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BU of 4fv3 by Molmil
Crystal Structure of the ERK2 complexed with EK6
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2014-09-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the ERK2 complexed with EK6
TO BE PUBLISHED
4GH2
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BU of 4gh2 by Molmil
Crystal Structure of the CHK1
分子名称: 3-(3-methoxy-4-nitrophenyl)-6-[2-(morpholin-4-yl)ethoxy]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-08-07
公開日2012-10-03
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystal Structure of the CHK1
To be Published
3LFD
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BU of 3lfd by Molmil
Human p38 MAP Kinase in Complex with RL113
分子名称: 1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Gruetter, C, Simard, J.R, Getlik, M, Rauh, D.
登録日2010-01-16
公開日2011-04-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
3LFN
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BU of 3lfn by Molmil
Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor
分子名称: Cell division protein kinase 2, N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide
著者Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P.
登録日2010-01-18
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
4FTC
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BU of 4ftc by Molmil
Crystal Structure of the CHK1
分子名称: 1-(5-cyanopyrazin-2-yl)-3-(5-phenyl-1H-pyrazol-3-yl)urea, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTN
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BU of 4ftn by Molmil
Crystal Structure of the CHK1
分子名称: 4'-{6-methoxy-7-[2-(piperidin-1-yl)ethoxy]-1,2-dihydroindeno[1,2-c]pyrazol-3-yl}biphenyl-4-ol, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FSW
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BU of 4fsw by Molmil
Crystal Structure of the CHK1
分子名称: 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, ISOPROPYL ALCOHOL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTL
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BU of 4ftl by Molmil
Crystal Structure of the CHK1
分子名称: 4'-[7-(hydroxymethyl)-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]biphenyl-4-ol, ISOPROPYL ALCOHOL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FTU
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BU of 4ftu by Molmil
Crystal Structure of the CHK1
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, SULFATE ION, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-28
公開日2012-08-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the CHK1
To be Published
4FV6
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BU of 4fv6 by Molmil
Crystal Structure of the ERK2 complexed with E57
分子名称: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-(2-{[(2S)-1-hydroxybutan-2-yl]amino}-5-methylpyrimidin-4-yl)-1H-pyrrole-2-carboxamide, ...
著者Kang, Y.N, Stuckey, J.A, Xie, X.
登録日2012-06-29
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the ERK2 complexed with E57
TO BE PUBLISHED
3LAU
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BU of 3lau by Molmil
Crystal Structure of Aurora2 kinase in complex with a GSK3beta inhibitor
分子名称: N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide, Serine/threonine-protein kinase 6
著者Maignan, S, Guilloteau, J.P, Pouzieux, S.
登録日2010-01-07
公開日2010-03-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010

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