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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3CST
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3CSF
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3DBS
| Structure of PI3K gamma in complex with GDC0941 | 分子名称: | 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Wiesmann, C, Ultsch, M. | 登録日 | 2008-06-02 | 公開日 | 2008-06-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer J.Med.Chem., 51, 2008
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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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3ENE
| Complex of PI3K gamma with an inhibitor | 分子名称: | 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Apsel, B, Blair, J.A, Gonzalez, B.Z, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A. | 登録日 | 2008-09-25 | 公開日 | 2008-10-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases Nat.Chem.Biol., 4, 2008
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6ZH8
| Cryo-EM structure of DNA-PKcs:DNA | 分子名称: | DNA (5'-D(P*AP*CP*TP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*T)-3'), DNA-dependent protein kinase catalytic subunit,DNA-PKcs | 著者 | Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L. | 登録日 | 2020-06-21 | 公開日 | 2020-10-21 | 最終更新日 | 2024-05-01 | 実験手法 | ELECTRON MICROSCOPY (4.14 Å) | 主引用文献 | Dimers of DNA-PK create a stage for DNA double-strand break repair. Nat.Struct.Mol.Biol., 28, 2021
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6C1S
| Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile | 著者 | Jacobs, M.D, Griffin, J.P. | 登録日 | 2018-01-05 | 公開日 | 2018-06-27 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS). J. Med. Chem., 61, 2018
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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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8GUD
| Cryo-EM structure of cancer-specific PI3Kalpha mutant E545K in complex with BYL-719 | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2022-09-11 | 公開日 | 2022-11-23 | 実験手法 | ELECTRON MICROSCOPY (2.62 Å) | 主引用文献 | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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8GUA
| Cryo-EM structure of cancer-specific PI3Kalpha mutant E542K in complex with BYL-719 | 分子名称: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Liu, X, Zhou, Q, Hart, J.R, Xu, Y, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | 登録日 | 2022-09-11 | 公開日 | 2022-12-07 | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | 主引用文献 | Cryo-EM structures of cancer-specific helical and kinase domain mutations of PI3K alpha. Proc.Natl.Acad.Sci.USA, 119, 2022
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5NP0
| Closed dimer of human ATM (Ataxia telangiectasia mutated) | 分子名称: | Serine-protein kinase ATM | 著者 | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | 登録日 | 2017-04-13 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | 主引用文献 | Structures of closed and open conformations of dimeric human ATM. Sci Adv, 3, 2017
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5NGB
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5NP1
| Open protomer of human ATM (Ataxia telangiectasia mutated) | 分子名称: | Serine-protein kinase ATM | 著者 | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | 登録日 | 2017-04-13 | 公開日 | 2017-05-17 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | 主引用文献 | Structures of closed and open conformations of dimeric human ATM. Sci Adv, 3, 2017
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6PYR
| Human PI3Kdelta in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | 分子名称: | (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Lesburg, C.A, Augustin, M.A. | 登録日 | 2019-07-30 | 公開日 | 2019-08-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow. Bioorg.Med.Chem.Lett., 29, 2019
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5OEJ
| Structure of Tra1 subunit within the chromatin modifying complex SAGA | 分子名称: | Tra1 subunit within the chromatin modifying complex SAGA | 著者 | Sharov, G, Voltz, K, Durand, A, Kolesnikova, O, Papai, G, Myasnikov, A.G, Dejaegere, A, Ben-Shem, A, Schultz, P. | 登録日 | 2017-07-07 | 公開日 | 2017-08-02 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (5.7 Å) | 主引用文献 | Structure of the transcription activator target Tra1 within the chromatin modifying complex SAGA. Nat Commun, 8, 2017
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6Q74
| PI3K delta in complex with 1benzylN[5(3,6dihydro2Hpyran4yl)2methoxypyridin3yl]2methyl1Himidazole4sulfonamide | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-pyridin-3-yl]-2-methyl-1-(phenylmethyl)imidazole-4-sulfonamide | 著者 | Convery, M.A, Rowland, P, Down, K, Barton, N. | 登録日 | 2018-12-12 | 公開日 | 2018-12-26 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61, 2018
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5O83
| Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors | 分子名称: | Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | 登録日 | 2017-06-12 | 公開日 | 2017-09-20 | 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 CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors. ACS Med Chem Lett, 8, 2017
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6Q6Y
| PI3K delta in complex with N(2chloro5phenylpyridin3yl)benzenesulfonamide | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-(2-chloranyl-5-phenyl-pyridin-3-yl)benzenesulfonamide | 著者 | Convery, M.A, Rowland, P, Down, K, Barton, N. | 登録日 | 2018-12-12 | 公開日 | 2018-12-26 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61, 2018
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6PYS
| Human PI3Kalpha in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one) | 分子名称: | (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, GLYCEROL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Lesburg, C.A, Augustin, M.A. | 登録日 | 2019-07-30 | 公開日 | 2019-08-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow. Bioorg.Med.Chem.Lett., 29, 2019
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6DGT
| Selective PI3K beta inhibitor bound to PI3K delta | 分子名称: | 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J, Villasenor, A, McGrath, M. | 登録日 | 2018-05-18 | 公開日 | 2018-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Atropisomerism by Design: Discovery of a Selective and Stable Phosphoinositide 3-Kinase (PI3K) beta Inhibitor. J. Med. Chem., 61, 2018
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5OJS
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6PYU
| Human PI3Kdelta in complex with Compound 4-2 ((3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one) | 分子名称: | (3S)-1'-(cyclopropanecarbonyl)-5-(quinoxalin-6-yl)spiro[indole-3,2'-pyrrolidin]-2(1H)-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Lesburg, C.A, Augustin, M.A. | 登録日 | 2019-07-30 | 公開日 | 2019-08-28 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow. Bioorg.Med.Chem.Lett., 29, 2019
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6Q73
| PI3K delta in complex with N[2chloro5(3,6dihydro2Hpyran4yl)pyridin3yl]methanesulfonamide | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[2-chloranyl-5-(3,6-dihydro-2~{H}-pyran-4-yl)pyridin-3-yl]methanesulfonamide | 著者 | Convery, M.A, Rowland, P, Down, K, Barton, N. | 登録日 | 2018-12-12 | 公開日 | 2018-12-26 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Discovery of Potent, Efficient, and Selective Inhibitors of Phosphoinositide 3-Kinase delta through a Deconstruction and Regrowth Approach. J.Med.Chem., 61, 2018
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4OYS
| CRYSTAL STRUCTURE OF VPS34 IN COMPLEX WITH SAR405. | 分子名称: | (8S)-9-[(5-chloranylpyridin-3-yl)methyl]-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-6,7,8,9a-tetrahydro-3H-pyrimido[1,2-a]pyrimidin-4-one, Phosphatidylinositol 3-kinase catalytic subunit type 3, SULFATE ION | 著者 | Mathieu, M, Marquette, J.p. | 登録日 | 2014-02-13 | 公開日 | 2014-10-22 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A highly potent and selective Vps34 inhibitor alters vesicle trafficking and autophagy. Nat.Chem.Biol., 10, 2014
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