8SOE
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![BU of 8soe by Molmil](/molmil-images/mine/8soe) | |
8SOD
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8SOC
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8TGD
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![BU of 8tgd by Molmil](/molmil-images/mine/8tgd) | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha | 分子名称: | 1,2-ETHANEDIOL, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, ... | 著者 | Hilbert, B, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | 登録日 | 2023-07-12 | 公開日 | 2023-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.928 Å) | 主引用文献 | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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8TU6
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![BU of 8tu6 by Molmil](/molmil-images/mine/8tu6) | CryoEM structure of PI3Kalpha | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Valverde, R, Shi, H, Holliday, M. | 登録日 | 2023-08-15 | 公開日 | 2023-11-15 | 最終更新日 | 2024-02-21 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSB
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![BU of 8tsb by Molmil](/molmil-images/mine/8tsb) | Human PI3K p85alpha/p110alpha bound to compound 2 | 分子名称: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.53 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSA
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![BU of 8tsa by Molmil](/molmil-images/mine/8tsa) | Human PI3K p85alpha/p110alpha H1047R bound to compound 2 | 分子名称: | 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J, Valverde, R. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS8
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![BU of 8ts8 by Molmil](/molmil-images/mine/8ts8) | p85alpha/p110alpha heterodimer H1047R mutant | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.72 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSD
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![BU of 8tsd by Molmil](/molmil-images/mine/8tsd) | Human PI3K p85alpha/p110alpha bound to RLY-2608 | 分子名称: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS7
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![BU of 8ts7 by Molmil](/molmil-images/mine/8ts7) | Human PI3K p85alpha/p110alpha | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TS9
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![BU of 8ts9 by Molmil](/molmil-images/mine/8ts9) | Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | 分子名称: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSC
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![BU of 8tsc by Molmil](/molmil-images/mine/8tsc) | Human PI3K p85alpha/p110alpha H1047R bound to compound 3 | 分子名称: | (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | 登録日 | 2023-08-11 | 公開日 | 2023-11-22 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.62 Å) | 主引用文献 | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8SOR
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![BU of 8sor by Molmil](/molmil-images/mine/8sor) | Structure of human PI3KC3-C1 complex | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Beclin 1-associated autophagy-related key regulator, Beclin-1, ... | 著者 | Chen, M, Hurley, J.H. | 登録日 | 2023-04-29 | 公開日 | 2023-06-21 | 最終更新日 | 2023-06-28 | 実験手法 | ELECTRON MICROSCOPY (3.96 Å) | 主引用文献 | Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex bioRxiv, 2023
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5SWO
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![BU of 5swo by Molmil](/molmil-images/mine/5swo) | Crystal Structure of PI3Kalpha in complex with fragments 4 and 19 | 分子名称: | 2-methyl-5-nitro-1H-indole, 4-methyl-3-nitropyridin-2-amine, CHLORIDE ION, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-08 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SWG
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![BU of 5swg by Molmil](/molmil-images/mine/5swg) | Crystal Structure of PI3Kalpha in complex with fragments 5 and 21 | 分子名称: | 1H-benzimidazol-2-amine, CATECHOL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-08 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SX9
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![BU of 5sx9 by Molmil](/molmil-images/mine/5sx9) | Crystal Structure of PI3Kalpha in complex with fragment 14 | 分子名称: | 4,6-dimethylpyridin-2-amine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.52 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SXE
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![BU of 5sxe by Molmil](/molmil-images/mine/5sxe) | Crystal Structure of PI3Kalpha in complex with fragments 19 and 28 | 分子名称: | 3-aminobenzonitrile, 4-bromo-1H-imidazole, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SWT
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![BU of 5swt by Molmil](/molmil-images/mine/5swt) | Crystal Structure of PI3Kalpha in complex with fragments 17 and 27 | 分子名称: | 3-fluoro-4-methoxyaniline, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-08 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.49 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SXC
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![BU of 5sxc by Molmil](/molmil-images/mine/5sxc) | Crystal Structure of PI3Kalpha in complex with fragment 8 | 分子名称: | 5-FLUOROURACIL, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SX8
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![BU of 5sx8 by Molmil](/molmil-images/mine/5sx8) | Crystal Structure of PI3Kalpha in complex with fragments 12 and 15 | 分子名称: | 6-methylpyridin-2-amine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.47 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SXJ
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![BU of 5sxj by Molmil](/molmil-images/mine/5sxj) | Crystal Structure of PI3Kalpha in complex with fragment 29 | 分子名称: | BENZHYDROXAMIC ACID, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.42 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SXF
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![BU of 5sxf by Molmil](/molmil-images/mine/5sxf) | Crystal Structure of PI3Kalpha in complex with fragment 9 | 分子名称: | HYDROXYPHENYL PROPIONIC ACID, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.46 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SXK
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![BU of 5sxk by Molmil](/molmil-images/mine/5sxk) | Crystal Structure of PI3Kalpha in complex with fragment 18 | 分子名称: | 2-methylbenzene-1,3-diamine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-09 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.55 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SW8
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![BU of 5sw8 by Molmil](/molmil-images/mine/5sw8) | Crystal structure of PI3Kalpha in complex with fragments 7 and 11 | 分子名称: | 2-CHLOROBENZENESULFONAMIDE, 2H-indazol-5-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-08 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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5SWP
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![BU of 5swp by Molmil](/molmil-images/mine/5swp) | Crystal Structure of PI3Kalpha in complex with fragments 6 and 24 | 分子名称: | 2-methylcyclohexane-1,3-dione, CHLORIDE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | 登録日 | 2016-08-08 | 公開日 | 2017-02-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | 主引用文献 | Identification of allosteric binding sites for PI3K alpha oncogenic mutant specific inhibitor design. Bioorg. Med. Chem., 25, 2017
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