8SO9
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![BU of 8so9 by Molmil](/molmil-images/mine/8so9) | Phosphoinositide phosphate 3 kinase gamma | 分子名称: | Phosphoinositide 3-kinase regulatory subunit 5, phosphatidylinositol-4,5-bisphosphate 3-kinase | 著者 | Chen, C.-L, Tesmer, J.J.G. | 登録日 | 2023-04-28 | 公開日 | 2024-04-03 | 最終更新日 | 2024-04-17 | 実験手法 | ELECTRON MICROSCOPY (3.03 Å) | 主引用文献 | Molecular basis for G beta gamma-mediated activation of phosphoinositide 3-kinase gamma. Nat.Struct.Mol.Biol., 2024
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2RD0
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![BU of 2rd0 by Molmil](/molmil-images/mine/2rd0) | Structure of a human p110alpha/p85alpha complex | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Huang, C, Gabelli, S.B, Amzel, L.M. | 登録日 | 2007-09-20 | 公開日 | 2007-12-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | The structure of a human p110alpha/p85alpha complex elucidates the effects of oncogenic PI3Kalpha mutations. Science, 318, 2007
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7PW6
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![BU of 7pw6 by Molmil](/molmil-images/mine/7pw6) | Human SMG1-8-9 kinase complex bound to a SMG1 inhibitor - SMG1 body | 分子名称: | 1-[4-[4-[2-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]amino]pyrimidin-4-yl]pyridin-2-yl]phenyl]-3-methyl-urea, INOSITOL HEXAKISPHOSPHATE, Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1,Serine/threonine-protein kinase SMG1 | 著者 | Langer, L.M, Conti, E. | 登録日 | 2021-10-06 | 公開日 | 2021-12-01 | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | 主引用文献 | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8. Elife, 10, 2021
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8ILR
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![BU of 8ilr by Molmil](/molmil-images/mine/8ilr) | Cryo-EM structure of PI3Kalpha in complex with compound 16 | 分子名称: | N-[(2S)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2023-03-04 | 公開日 | 2023-08-30 | 実験手法 | ELECTRON MICROSCOPY (3.05 Å) | 主引用文献 | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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5L72
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![BU of 5l72 by Molmil](/molmil-images/mine/5l72) | |
6MUM
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![BU of 6mum by Molmil](/molmil-images/mine/6mum) | Murine PI3K delta kinsae domain - cpd 3 | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone | 著者 | Fischmann, T.O. | 登録日 | 2018-10-23 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | 主引用文献 | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability. J.Med.Chem., 62, 2019
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6MUL
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![BU of 6mul by Molmil](/molmil-images/mine/6mul) | Murine PI3K delta kinsae domain - cpd 1 | 分子名称: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Fischmann, T.O. | 登録日 | 2018-10-23 | 公開日 | 2019-05-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.09 Å) | 主引用文献 | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability. J.Med.Chem., 62, 2019
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8SBJ
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![BU of 8sbj by Molmil](/molmil-images/mine/8sbj) | Co-structure Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform complexed with brain penetrant inhibitors | 分子名称: | (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Knapp, M.S, Elling, R.A, Tang, J. | 登録日 | 2023-04-03 | 公開日 | 2023-07-19 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes. J.Med.Chem., 66, 2023
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5WBY
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![BU of 5wby by Molmil](/molmil-images/mine/5wby) | |
7VVY
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![BU of 7vvy by Molmil](/molmil-images/mine/7vvy) | TRA module of NuA4 | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | 著者 | Chen, Z, Qu, K. | 登録日 | 2021-11-09 | 公開日 | 2022-08-10 | 最終更新日 | 2024-06-26 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structure of the NuA4 acetyltransferase complex bound to the nucleosome. Nature, 610, 2022
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8DD4
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![BU of 8dd4 by Molmil](/molmil-images/mine/8dd4) | PI 3-kinase alpha with nanobody 3-142 | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2022-06-17 | 公開日 | 2022-09-21 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8ILS
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![BU of 8ils by Molmil](/molmil-images/mine/8ils) | Cryo-EM structure of PI3Kalpha in complex with compound 17 | 分子名称: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2023-03-04 | 公開日 | 2023-09-13 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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8ESC
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![BU of 8esc by Molmil](/molmil-images/mine/8esc) | Structure of the Yeast NuA4 Histone Acetyltransferase Complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | 著者 | Patel, A.B, Zukin, S.A, Nogales, E. | 登録日 | 2022-10-13 | 公開日 | 2022-11-16 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structure and flexibility of the yeast NuA4 histone acetyltransferase complex. Elife, 11, 2022
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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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8TDU
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![BU of 8tdu by Molmil](/molmil-images/mine/8tdu) | STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | 分子名称: | 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, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | 登録日 | 2023-07-05 | 公開日 | 2023-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.11 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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7PW9
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![BU of 7pw9 by Molmil](/molmil-images/mine/7pw9) | Human SMG1-9 kinase complex bound to AMPPNP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, MAGNESIUM ION, ... | 著者 | Langer, L.M, Conti, E. | 登録日 | 2021-10-06 | 公開日 | 2021-12-01 | 実験手法 | ELECTRON MICROSCOPY (3.12 Å) | 主引用文献 | Cryo-EM reconstructions of inhibitor-bound SMG1 kinase reveal an autoinhibitory state dependent on SMG8. Elife, 10, 2021
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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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6YKG
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6OAC
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![BU of 6oac by Molmil](/molmil-images/mine/6oac) | PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha | 分子名称: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Burke, J.E, McPhail, J.A. | 登録日 | 2019-03-15 | 公開日 | 2019-06-26 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | (S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase. J.Med.Chem., 62, 2019
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7JX0
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![BU of 7jx0 by Molmil](/molmil-images/mine/7jx0) | NVS-PI3-4 bound to the PI3Kg catalytic subunit p110 gamma | 分子名称: | N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Burke, J.E, Rathinaswamy, M.K, Harris, N.J. | 登録日 | 2020-08-26 | 公開日 | 2021-03-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | Disease related mutations in PI3K gamma disrupt regulatory C-terminal dynamics and reveal a path to selective inhibitors. Elife, 10, 2021
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8ILV
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![BU of 8ilv by Molmil](/molmil-images/mine/8ilv) | Cryo-EM structure of PI3Kalpha in complex with compound 18 | 分子名称: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2023-03-04 | 公開日 | 2023-09-06 | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | 主引用文献 | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
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4HND
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![BU of 4hnd by Molmil](/molmil-images/mine/4hnd) | Crystal structure of the catalytic domain of Selenomethionine substituted human PI4KIIalpha in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha | 著者 | Zhou, Q, Zhai, Y, Zhang, K, Chen, C, Sun, F. | 登録日 | 2012-10-19 | 公開日 | 2014-04-09 | 最終更新日 | 2016-12-28 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Molecular insights into the membrane-associated phosphatidylinositol 4-kinase II alpha. Nat Commun, 5, 2014
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7PE8
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5C4G
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8V8I
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![BU of 8v8i by Molmil](/molmil-images/mine/8v8i) | PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). | 分子名称: | (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... | 著者 | Gunn, R.J, Lawson, J.D. | 登録日 | 2023-12-05 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
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