7PW5
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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 | 最終更新日 | 2024-07-17 | 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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8RXR
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![BU of 8rxr by Molmil](/molmil-images/mine/8rxr) | Crystal structure of VPS34 in complex with inhibitor SB02024 | 分子名称: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | 著者 | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | 登録日 | 2024-02-07 | 公開日 | 2024-03-20 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy. Mol Oncol, 2024
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8SC8
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![BU of 8sc8 by Molmil](/molmil-images/mine/8sc8) | Structure of PI3KG in complex with MTX-531 | 分子名称: | N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Whitehead, C.E, Leopold, J. | 登録日 | 2023-04-05 | 公開日 | 2024-06-12 | 実験手法 | X-RAY DIFFRACTION (2.687 Å) | 主引用文献 | Structure of PI3KG in complex with MTX-531 To Be Published
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8S3R
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![BU of 8s3r by Molmil](/molmil-images/mine/8s3r) | HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 | 分子名称: | 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | 登録日 | 2024-02-20 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation. J.Med.Chem., 67, 2024
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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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8SOA
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![BU of 8soa by Molmil](/molmil-images/mine/8soa) | Phosphoinositide phosphate 3 kinase gamma bound with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, 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 (3.32 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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8SOB
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![BU of 8sob by Molmil](/molmil-images/mine/8sob) | Phosphoinositide phosphate 3 kinase gamma bound with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, 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 (3.9 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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5T7F
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![BU of 5t7f by Molmil](/molmil-images/mine/5t7f) | PI3Kdelta in complex with the inhibitor GS-643624 | 分子名称: | 2,4-bis(azanyl)-6-[[(1~{S})-1-[5-chloranyl-3-(5-fluoranyl-4-methyl-pyridin-3-yl)-4-oxidanylidene-quinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J.R, Villasenor, A. | 登録日 | 2016-09-04 | 公開日 | 2016-12-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd To Be Published
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5T27
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![BU of 5t27 by Molmil](/molmil-images/mine/5t27) | mPI3Kd IN COMPLEX WITH 5d | 分子名称: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T23
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![BU of 5t23 by Molmil](/molmil-images/mine/5t23) | PI3Kg IN COMPLEX WITH 5d | 分子名称: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-[(1~{S})-1-morpholin-4-ylethyl]-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2B
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![BU of 5t2b by Molmil](/molmil-images/mine/5t2b) | mPI3Kd IN COMPLEX WITH 5e | 分子名称: | 5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-3-(1~{H}-pyrazol-4-yl)pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2I
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![BU of 5t2i by Molmil](/molmil-images/mine/5t2i) | mPI3Kd IN COMPLEX WITH 7k | 分子名称: | 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2D
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![BU of 5t2d by Molmil](/molmil-images/mine/5t2d) | mPI3Kd IN COMPLEX WITH 7j | 分子名称: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-~{N},~{N}-dimethyl-pyrazole-1-sulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2M
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![BU of 5t2m by Molmil](/molmil-images/mine/5t2m) | mPI3Kd IN COMPLEX WITH 7m | 分子名称: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2G
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![BU of 5t2g by Molmil](/molmil-images/mine/5t2g) | mPI3Kd IN COMPLEX WITH 7i | 分子名称: | 4-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-1-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T28
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![BU of 5t28 by Molmil](/molmil-images/mine/5t28) | mPI3Kd IN COMPLEX WITH 5k | 分子名称: | 3-(benzotriazol-1-yl)-5-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T2L
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![BU of 5t2l by Molmil](/molmil-images/mine/5t2l) | mPI3Kd IN COMPLEX WITH 7l | 分子名称: | 1-[3-azanyl-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]pyrazole-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Petersen, J, Terstige, I, Perry, M, Svensson, T, Tyrchan, C, Lindmark, H, Oster, L. | 登録日 | 2016-08-23 | 公開日 | 2017-04-19 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Discovery of triazole aminopyrazines as a highly potent and selective series of PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5T8I
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![BU of 5t8i by Molmil](/molmil-images/mine/5t8i) | PI3Kdelta in complex with the inhibitor GS-9901 | 分子名称: | 2,4-diamino-6-{[(S)-[5-chloro-8-fluoro-4-oxo-3-(pyridin-3-yl)-3,4-dihydroquinazolin-2-yl](cyclopropyl)methyl]amino}pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J.R, Villasenor, A. | 登録日 | 2016-09-07 | 公開日 | 2016-12-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The Discovery of GS-9901: A Potent, Selective and Metabolically Stable Inhibitor of PI3Kd To Be Published
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5T8F
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![BU of 5t8f by Molmil](/molmil-images/mine/5t8f) | p110delta/p85alpha with taselisib (GDC-0032) | 分子名称: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Moertl, M, Steinbacher, S, Eigenbrot, C. | 登録日 | 2016-09-07 | 公開日 | 2017-01-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Structure-Based Design of Tricyclic NF-kappa B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J. Med. Chem., 60, 2017
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5UBR
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![BU of 5ubr by Molmil](/molmil-images/mine/5ubr) | CRYSTAL STRUCTURE OF PI3K ALPHA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE | 分子名称: | 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Sack, J.S. | 登録日 | 2016-12-21 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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5UBT
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![BU of 5ubt by Molmil](/molmil-images/mine/5ubt) | CRYSTAL STRUCTURE OF PI3K DELTA IN COMPLEX WITH A 7-(3-(PIPERAZIN-1-YL)PHENYL)PYRROLO[2,1-F][1,2,4] TRIAZIN-4-AMINE DERIVIATINE | 分子名称: | 1-[4-(3-{4-amino-5-[1-(oxan-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl}phenyl)piperazin-1-yl]ethan-1-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Sack, J.S. | 登録日 | 2016-12-21 | 公開日 | 2017-02-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | 主引用文献 | Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3K delta inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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7ZVW
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![BU of 7zvw by Molmil](/molmil-images/mine/7zvw) | NuA4 Histone Acetyltransferase Complex | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Chromatin modification-related protein EAF1, ... | 著者 | Schultz, P, Ben-Shem, A, Frechard, A. | 登録日 | 2022-05-17 | 公開日 | 2023-05-31 | 最終更新日 | 2023-09-20 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | The structure of the NuA4-Tip60 complex reveals the mechanism and importance of long-range chromatin modification. Nat.Struct.Mol.Biol., 30, 2023
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4WAF
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![BU of 4waf by Molmil](/molmil-images/mine/4waf) | Crystal Structure of a novel tetrahydropyrazolo[1,5-a]pyrazine in an engineered PI3K alpha | 分子名称: | N,N-dimethyl-4-[(6R)-6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Knapp, M.S, Elling, R.A. | 登録日 | 2014-08-29 | 公開日 | 2014-12-31 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. Acs Med.Chem.Lett., 6, 2015
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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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