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PDB: 10 件

5FD2
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B-Raf wild-type kinase domain in complex with a purinylpyridinylamino-based inhibitor
分子名称: 6-[2-[[3-(dimethylsulfamoylamino)-2,6-bis(fluoranyl)phenyl]amino]pyridin-3-yl]-7~{H}-purine, Serine/threonine-protein kinase B-raf
著者Whittington, D.A, Epstein, L.F.
登録日2015-12-15
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Purinylpyridinylamino-based DFG-in/ alpha C-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.
Bioorg.Med.Chem., 24, 2016
3IDP
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BU of 3idp by Molmil
B-Raf V600E kinase domain in complex with an aminoisoquinoline inhibitor
分子名称: B-Raf proto-oncogene serine/threonine-protein kinase, N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine
著者Whittington, D.A, Epstein, L.F.
登録日2009-07-21
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Selective inhibitors of the mutant B-raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.
J.Med.Chem., 52, 2009
4FNW
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BU of 4fnw by Molmil
Crystal structure of the apo F1174L anaplastic lymphoma kinase catalytic domain
分子名称: ALK tyrosine kinase receptor, GLYCEROL
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
4FNZ
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BU of 4fnz by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with piperidine-carboxamide inhibitor 2
分子名称: (3S)-N-[3-(trifluoromethoxy)benzyl]-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide, ALK tyrosine kinase receptor
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
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The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
4FOC
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Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2
分子名称: ALK tyrosine kinase receptor, methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4FNX
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BU of 4fnx by Molmil
Crystal structure of the apo R1275Q anaplastic lymphoma kinase catalytic domain
分子名称: ALK tyrosine kinase receptor, GLYCEROL
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
4FOD
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BU of 4fod by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36
分子名称: 4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide, ALK tyrosine kinase receptor, GLYCEROL
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4FNY
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BU of 4fny by Molmil
Crystal structure of the R1275Q anaplastic lymphoma kinase catalytic domain in complex with a benzoxazole inhibitor
分子名称: ALK tyrosine kinase receptor, N-(4-chlorophenyl)-5-[(6,7-dimethoxyquinolin-4-yl)oxy]-1,3-benzoxazol-2-amine
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The R1275Q Neuroblastoma Mutant and Certain ATP-competitive Inhibitors Stabilize Alternative Activation Loop Conformations of Anaplastic Lymphoma Kinase.
J.Biol.Chem., 287, 2012
4FOB
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BU of 4fob by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1
分子名称: ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4DCE
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BU of 4dce by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with a piperidine-carboxamide inhibitor
分子名称: (3S)-N-(4-methylbenzyl)-1-{2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}piperidine-3-carboxamide, ALK tyrosine kinase receptor
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-01-17
公開日2012-02-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Rapid development of piperidine carboxamides as potent and selective anaplastic lymphoma kinase inhibitors.
J.Med.Chem., 55, 2012

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件を2024-05-15に公開中

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