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6GRC
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BU of 6grc by Molmil
eukaryotic junction-resolving enzyme GEN-1 binding with Sodium
分子名称: DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), MAGNESIUM ION, ...
著者Lilley, D.M.J, Liu, Y, Freeman, D.J.
登録日2018-06-11
公開日2018-09-26
最終更新日2019-02-13
実験手法X-RAY DIFFRACTION (2.452 Å)
主引用文献A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1.
Nucleic Acids Res., 46, 2018
6GRD
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BU of 6grd by Molmil
eukaryotic junction-resolving enzyme GEN-1 binding with Cesium
分子名称: CESIUM ION, DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), ...
著者Lilley, D.M.J, Liu, Y, Freeman, D.J.
登録日2018-06-11
公開日2018-09-26
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1.
Nucleic Acids Res., 46, 2018
6GRB
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BU of 6grb by Molmil
eukaryotic junction-resolving enzyme GEN-1 binding with Potassium
分子名称: DNA (5'-D(*TP*AP*CP*CP*CP*AP*CP*CP*AP*CP*CP*GP*CP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), MAGNESIUM ION, ...
著者Lilley, D.M.J, Liu, Y, Freeman, D.J.
登録日2018-06-11
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A monovalent ion in the DNA binding interface of the eukaryotic junction-resolving enzyme GEN1.
Nucleic Acids Res., 46, 2018
4DK5
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BU of 4dk5 by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine inhibitor
分子名称: 4-(2-[(6-methoxypyridin-3-yl)amino]-5-{[4-(methylsulfonyl)piperazin-1-yl]methyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-02-03
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases.
J.Med.Chem., 55, 2012
4F1S
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BU of 4f1s by Molmil
Crystal structure of human PI3K-gamma in complex with a pyridyl-triazine-sulfonamide inhibitor
分子名称: N-(5-{[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-(tetrahydro-2H-pyran-4-yl)pyridin-2-yl]amino}-2-chloropyridin-3-yl)methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-05-07
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold.
Bioorg.Med.Chem.Lett., 22, 2012
4FLH
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BU of 4flh by Molmil
Crystal structure of human PI3K-gamma in complex with AMG511
分子名称: 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2012-06-14
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective Class I Phosphoinositide 3-Kinase Inhibitors: Optimization of a Series of Pyridyltriazines Leading to the Identification of a Clinical Candidate, AMG 511.
J.Med.Chem., 55, 2012
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
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
5CNQ
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BU of 5cnq by Molmil
Crystal structure of the Holliday junction-resolving enzyme GEN1 (WT) in complex with product DNA, Mg2+ and Mn2+ ions
分子名称: DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*T)-3'), MANGANESE (II) ION, Nuclease-like protein, ...
著者Liu, Y.J, Freeman, A.D.J, Declais, A.C, Wilson, T.J, Gartner, A, Lilley, D.M.J.
登録日2015-07-17
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Crystal Structure of a Eukaryotic GEN1 Resolving Enzyme Bound to DNA.
Cell Rep, 13, 2015
5CO8
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BU of 5co8 by Molmil
Crystal structure of the Holliday junction-resolving enzyme GEN1 (WT) in complex with product DNA and Mg2+ ion
分子名称: DNA (31-MER), DNA (5'-D(*AP*GP*AP*CP*TP*GP*CP*AP*GP*TP*TP*GP*AP*GP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*GP*CP*GP*GP*TP*GP*GP*TP*TP*GP*GP*A)-3'), ...
著者Liu, Y.J, Freeman, A.D.J, Declais, A.C, Wilson, T.J, Gartner, A, Lilley, D.M.J.
登録日2015-07-20
公開日2016-01-13
最終更新日2018-11-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of a Eukaryotic GEN1 Resolving Enzyme Bound to DNA.
Cell Rep, 13, 2015

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