6T3B
 
 | | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4) | | 分子名称: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | 登録日 | 2019-10-10 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | | 主引用文献 | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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8AJ8
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2CHX
 | | A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-90 | | 分子名称: | N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | 著者 | Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M. | | 登録日 | 2006-03-16 | | 公開日 | 2006-05-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
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6T3C
 | | Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648 | | 分子名称: | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | 登録日 | 2019-10-10 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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5NCZ
 | | mPI3Kd IN COMPLEX WITH inh1 | | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Petersen, J. | | 登録日 | 2017-03-06 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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6TNS
 | | PI3K delta in complex with 2methoxyN[2methoxy5(7{[(2R)4(oxetan3 yl)morpholin2yl]methoxy}1,3dihydro2 benzofuran5yl)pyridin3yl]ethane1 sulfonamide | | 分子名称: | 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | | 登録日 | 2019-12-10 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.
J.Med.Chem., 63, 2020
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2CHZ
 | | A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The structure of complex of phosphoinositide 3-kinase gamma with inhibitor PIK-93 | | 分子名称: | N-(5-(4-CHLORO-3-(2-HYDROXY-ETHYLSULFAMOYL)- PHENYLTHIAZOLE-2-YL)-ACETAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | 著者 | Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M. | | 登録日 | 2006-03-16 | | 公開日 | 2006-05-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
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8AM0
 | | Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | | 分子名称: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Goncalves, M, Johnson, J.L, Roewer, K.M. | | 登録日 | 2022-08-02 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.818 Å) | | 主引用文献 | Epinephrine inhibits PI3K alpha via the Hippo kinases.
Cell Rep, 42, 2023
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6TNR
 | | PI3K delta in complex with N[5(7{2[4(2hydroxypropan2yl)piperidin1 yl]ethoxy}1,3dihydro2benzofuran5yl)2 methoxypyridin3yl]methanesulfonamide | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide | | 著者 | Convery, M.A, Rowland, P, Henley, Z.A, Barton, N, Down, K. | | 登録日 | 2019-12-10 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Optimization of Orally Bioavailable PI3K delta Inhibitors and Identification of Vps34 as a Key Selectivity Target.
J.Med.Chem., 63, 2020
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8BFU
 | | Crystal structure of the apo p110alpha catalytic subunit from homo sapiens | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | | 登録日 | 2022-10-26 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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5NCY
 | | mPI3Kd IN COMPLEX WITH inh1 | | 分子名称: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ... | | 著者 | Petersen, J. | | 登録日 | 2017-03-06 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration.
J. Med. Chem., 60, 2017
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8BCY
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | | 分子名称: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | | 登録日 | 2022-10-17 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors.
Eur.J.Med.Chem., 254, 2023
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5NGB
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3DPD
 | | Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-Dihydro-2H-benzo[1,4]oxazines | | 分子名称: | 5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Ceska, T.A. | | 登録日 | 2008-07-08 | | 公開日 | 2008-08-26 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines
Bioorg.Med.Chem.Lett., 18, 2008
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2CHW
 | | A pharmacological map of the PI3-K family defines a role for p110 alpha in signaling: The structure of complex of phosphoinositide 3- kinase gamma with inhibitor PIK-39 | | 分子名称: | 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | 著者 | Knight, Z.A, Gonzalez, B, Feldman, M.E, Zunder, E.R, Goldenberg, D.D, Williams, O, Loewith, R, Stokoe, D, Balla, A, Toth, B, Balla, T, Weiss, W.A, Williams, R.L, Shokat, K.M. | | 登録日 | 2006-03-16 | | 公開日 | 2006-05-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A Pharmacological Map of the Pi3-K Family Defines a Role for P110Alpha in Signaling
Cell(Cambridge,Mass.), 125, 2006
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3HIZ
 | | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha | | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D. | | 登録日 | 2009-05-20 | | 公開日 | 2009-09-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3HHM
 | | Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin | | 分子名称: | (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | 著者 | Amzel, L.M, Vogelstein, B, Gabelli, S.B, Mandelker, D. | | 登録日 | 2009-05-15 | | 公開日 | 2009-09-29 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A frequent kinase domain mutation that changes the interaction between PI3K{alpha} and the membrane.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6XRN
 | | Crystal structure of human PI3K-gamma in complex with Compound 17 | | 分子名称: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Walker, N.P, Jeffrey, J.L. | | 登録日 | 2020-07-13 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ).
J.Med.Chem., 65, 2022
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4L1B
 | | Crystal Structure of p110alpha complexed with niSH2 of p85alpha | | 分子名称: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, SULFATE ION | | 著者 | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | | 登録日 | 2013-06-03 | | 公開日 | 2014-01-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.586 Å) | | 主引用文献 | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
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4L2Y
 | | Crystal Structure of p110alpha complexed with niSH2 of p85alpha and compound 9d | | 分子名称: | 3-amino-5-[4-(morpholin-4-yl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenol, GLYCEROL, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Zhang, J, Zhao, Y.L, Chen, Y.Y, Huang, M, Jiang, F. | | 登録日 | 2013-06-05 | | 公開日 | 2014-01-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structures of PI3K alpha Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.
ACS Med Chem Lett, 5, 2014
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7BL1
 | | human complex II-BATS bound to membrane-attached Rab5a-GTP | | 分子名称: | Beclin-1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Tremel, S, Morado, D.R, Kovtun, O, Williams, R.L, Briggs, J.A.G, Munro, S, Ohashi, Y, Bertram, J, Perisic, O. | | 登録日 | 2021-01-17 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (9.8 Å) | | 主引用文献 | Structural basis for VPS34 kinase activation by Rab1 and Rab5 on membranes.
Nat Commun, 12, 2021
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7BI9
 | | PI3KC2a core in complex with PIK90 | | 分子名称: | 1,2-ETHANEDIOL, N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-C] QUINAZOLIN-5-YL)NICOTINAMIDE, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | | 著者 | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | | 登録日 | 2021-01-12 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
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7BI6
 | | PI3KC2a core in complex with ATP | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | | 登録日 | 2021-01-12 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
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7BI4
 | | PI3KC2a core apo | | 分子名称: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha,Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, SULFATE ION | | 著者 | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | | 登録日 | 2021-01-12 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
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7BI2
 | | PI3KC2aDeltaN and DeltaC-C2 | | 分子名称: | 1,2-ETHANEDIOL, 9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one, IODIDE ION, ... | | 著者 | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | | 登録日 | 2021-01-12 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Structural basis of phosphatidylinositol 3-kinase C2 alpha function.
Nat.Struct.Mol.Biol., 29, 2022
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