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3OY3
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BU of 3oy3 by Molmil
Crystal structure of ABL T315I mutant kinase domain bound with a DFG-out inhibitor AP24589
分子名称: 5-[(5-{[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-1-methyl-1H-imidazole-2-carboxamide, Tyrosine-protein kinase ABL1
著者Zhou, T, Commodore, L, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
登録日2010-09-22
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
3OXZ
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BU of 3oxz by Molmil
Crystal structure of ABL kinase domain bound with a DFG-out inhibitor AP24534
分子名称: 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Tyrosine-protein kinase ABL1
著者Zhou, T, Huang, W.S, Wang, Y, Thomas, M, Keats, J, Xu, Q, Rivera, V, Shakespeare, W.C, Clackson, T, Dalgarno, D.C, Zhu, X.
登録日2010-09-22
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Mechanism of the Pan-BCR-ABL Inhibitor Ponatinib (AP24534): Lessons for Overcoming Kinase Inhibitor Resistance.
Chem.Biol.Drug Des., 77, 2011
6MX8
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BU of 6mx8 by Molmil
Crystal structure of anaplastic lymphoma kinase (ALK) bound by Brigatinib
分子名称: 5-chloro-N~4~-[2-(dimethylphosphoryl)phenyl]-N~2~-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Dougan, D.R, Zhou, T.
登録日2018-10-30
公開日2018-12-12
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of Brigatinib (AP26113), a Phosphine Oxide-Containing, Potent, Orally Active Inhibitor of Anaplastic Lymphoma Kinase.
J. Med. Chem., 59, 2016
2Z60
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BU of 2z60 by Molmil
Crystal Structure of the T315I Mutant of Abl kinase bound with PPY-A
分子名称: 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T, Dalgarno, D, Zhu, X.
登録日2007-07-21
公開日2007-09-18
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the T315I Mutant of Abl Kinase
Chem.Biol.Drug Des., 70, 2007
2BDF
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BU of 2bdf by Molmil
Src kinase in complex with inhibitor AP23451
分子名称: Proto-oncogene tyrosine-protein kinase Src, {[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
著者Dalgarno, D, Stehle, T, Schelling, P, Sawyer, T, Narula, S.
登録日2005-10-20
公開日2006-10-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
2BDJ
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BU of 2bdj by Molmil
Src kinase in complex with inhibitor AP23464
分子名称: 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL, Proto-oncogene tyrosine-protein kinase Src
著者Dalgarno, D, Stehle, T, Schelling, P, Narula, S, Sawyer, T.
登録日2005-10-20
公開日2006-10-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Chem.Biol.Drug Des., 67, 2006
2QOH
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BU of 2qoh by Molmil
Crystal Structure of Abl kinase bound with PPY-A
分子名称: 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T, Dalgarno, D, Zhu, X.
登録日2007-07-20
公開日2007-09-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the T315I Mutant of Abl Kinase
Chem.Biol.Drug Des., 70, 2007

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