2P2I
| Crystal structure of the VEGFR2 kinase domain in complex with a nicotinamide inhibitor | 分子名称: | N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2007-03-07 | 公開日 | 2007-03-20 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor J.Med.Chem., 50, 2007
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1FZH
| METHANE MONOOXYGENASE HYDROXYLASE, FORM II PRESSURIZED WITH XENON GAS | 分子名称: | CALCIUM ION, FE (III) ION, METHANE MONOOXYGENASE COMPONENT A, ... | 著者 | Whittington, D.A, Rosenzweig, A.C, Frederick, C.A, Lippard, S.J. | 登録日 | 2000-10-03 | 公開日 | 2001-04-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Xenon and halogenated alkanes track putative substrate binding cavities in the soluble methane monooxygenase hydroxylase. Biochemistry, 40, 2001
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1FZ6
| METHANE MONOOXYGENASE HYDROXYLASE, FORM II SOAKED IN 1 M METHANOL | 分子名称: | CALCIUM ION, FE (III) ION, METHANE MONOOXYGENASE COMPONENT A, ... | 著者 | Whittington, D.A, Sazinsky, M.H, Lippard, S.J. | 登録日 | 2000-10-03 | 公開日 | 2001-04-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | X-ray crystal structure of alcohol products bound at the active site of soluble methane monooxygenase hydroxylase. J.Am.Chem.Soc., 123, 2001
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1FZI
| METHANE MONOOXYGENASE HYDROXYLASE, FORM I PRESSURIZED WITH XENON GAS | 分子名称: | FE (III) ION, METHANE MONOOXYGENASE COMPONENT A, ALPHA CHAIN, ... | 著者 | Whittington, D.A, Rosenzweig, A.C, Frederick, C.A, Lippard, S.J. | 登録日 | 2000-10-03 | 公開日 | 2001-04-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Xenon and halogenated alkanes track putative substrate binding cavities in the soluble methane monooxygenase hydroxylase. Biochemistry, 40, 2001
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1FZ9
| Methane monooxygenase hydroxylase, form II cocrystallized with iodoethane | 分子名称: | CALCIUM ION, FE (III) ION, IODOETHANE, ... | 著者 | Whittington, D.A, Rosenzweig, A.C, Frederick, C.A, Lippard, S.J. | 登録日 | 2000-10-03 | 公開日 | 2001-04-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Xenon and halogenated alkanes track putative substrate binding cavities in the soluble methane monooxygenase hydroxylase. Biochemistry, 40, 2001
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1FZ8
| METHANE MONOOXYGENASE HYDROXYLASE, FORM II COCRYSTALLIZED WITH DIBROMOMETHANE | 分子名称: | CALCIUM ION, DIBROMOMETHANE, FE (III) ION, ... | 著者 | Whittington, D.A, Rosenzweig, A.C, Frederick, C.A, Lippard, S.J. | 登録日 | 2000-10-03 | 公開日 | 2001-04-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Xenon and halogenated alkanes track putative substrate binding cavities in the soluble methane monooxygenase hydroxylase. Biochemistry, 40, 2001
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3B8Q
| Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor | 分子名称: | N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Long, A.M, Gu, Y, Zhao, H. | 登録日 | 2007-11-01 | 公開日 | 2008-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Naphthamides as Novel and Potent Vascular Endothelial Growth Factor
Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation J.Med.Chem., 51, 2008
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3CPC
| Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | 分子名称: | 3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2008-03-31 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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3B8R
| Crystal structure of the VEGFR2 kinase domain in complex with a naphthamide inhibitor | 分子名称: | 1,2-ETHANEDIOL, N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Long, A.M, Gu, Y, Zhao, H. | 登録日 | 2007-11-01 | 公開日 | 2008-04-01 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Evaluation of a Series of Naphthamides as Potent, Orally Active Vascular
Endothelial Growth Factor Receptor-2 Tyrosine Kinase Inhibitors J.Med.Chem., 51, 2008
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3CPB
| Crystal structure of the VEGFR2 kinase domain in complex with a bisamide inhibitor | 分子名称: | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2008-03-31 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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3BE2
| Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor | 分子名称: | N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H. | 登録日 | 2007-11-16 | 公開日 | 2008-04-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation. J.Med.Chem., 51, 2008
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3CP9
| Crystal structure of the VEGFR2 kinase domain in complex with a pyridone inhibitor | 分子名称: | 3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2008-03-31 | 公開日 | 2008-06-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Discovery of Aryl Aminoquinazoline Pyridones as Potent, Selective, and Orally Efficacious Inhibitors of Receptor Tyrosine Kinase c-Kit. J.Med.Chem., 51, 2008
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3DTW
| Crystal structure of the VEGFR2 kinase domain in complex with a benzisoxazole inhibitor | 分子名称: | 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide, Vascular endothelial growth factor receptor 2 | 著者 | Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H. | 登録日 | 2008-07-16 | 公開日 | 2008-09-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of amido-benzisoxazoles as potent c-Kit inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
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4DEI
| Crystal structure of c-Met in complex with triazolopyridinone inhibitor 24 | 分子名称: | 3-{(1S)-1-[3-(2-methoxyethoxy)quinolin-6-yl]ethyl}-5-(3-methyl-1,2-thiazol-5-yl)-3,5-dihydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-01-20 | 公開日 | 2012-05-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4DEH
| Crystal structure of c-Met in complex with triazolopyridinone inhibitor 3 | 分子名称: | 5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one, Hepatocyte growth factor receptor | 著者 | Whittington, D.A, Bellon, S.F, Long, A.M. | 登録日 | 2012-01-20 | 公開日 | 2012-05-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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4DI2
| Crystal structure of BACE1 in complex with hydroxyethylamine inhibitor 37 | 分子名称: | (2R)-N-{(2S,3R)-4-{[(4'S)-6'-(2,2-dimethylpropyl)-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl]amino}-3-hydroxy-1-[3-(1,3-thiazol-2-yl)phenyl]butan-2-yl}-2-methoxypropanamide, Beta-secretase 1, GLYCEROL | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-01-30 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and synthesis of potent, orally efficacious hydroxyethylamine derived beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J.Med.Chem., 55, 2012
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4FJZ
| Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63 | 分子名称: | 1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine], Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2012-06-12 | 公開日 | 2012-10-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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4FJY
| Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f | 分子名称: | 4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whittington, D.A, Tang, J, Yakowec, P. | 登録日 | 2012-06-12 | 公開日 | 2012-10-24 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors J.Med.Chem., 55, 2012
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4FNY
| 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
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4FOB
| 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
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4FRJ
| Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l | 分子名称: | (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | 著者 | Whittington, D.A, Long, A.M. | 登録日 | 2012-06-26 | 公開日 | 2012-09-12 | 最終更新日 | 2012-12-12 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
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4FLH
| 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
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4FNW
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4FNZ
| 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
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4FOC
| 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
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