8DCX
 
 | | PI 3-kinase alpha with nanobody 3-159 | | 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 | | 実験手法 | ELECTRON MICROSCOPY (2.8 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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8A9I
 | | PI3KC2a core in complex with PITCOIN1 | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-~{N}-(1,3-thiazol-2-yl)ethanamide, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ... | | 著者 | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | | 登録日 | 2022-06-28 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | | 主引用文献 | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha.
Nat.Chem.Biol., 19, 2023
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7Z75
 | | PI3KC2a core in complex with PITCOIN3 | | 分子名称: | 1,2-ETHANEDIOL, 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 | 2022-03-15 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha.
Nat.Chem.Biol., 19, 2023
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7Z74
 | | PI3KC2a core in complex with PITCOIN2 | | 分子名称: | 1,2-ETHANEDIOL, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, ~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide | | 著者 | Lo, W.T, Roske, Y, Daumke, O, Haucke, V. | | 登録日 | 2022-03-15 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Development of selective inhibitors of phosphatidylinositol 3-kinase C2 alpha.
Nat.Chem.Biol., 19, 2023
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7PG5
 | | Crystal Structure of PI3Kalpha | | 分子名称: | GLYCEROL, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | | 登録日 | 2021-08-13 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.20029068 Å) | | 主引用文献 | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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7PG6
 | | Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719 | | 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 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, ... | | 著者 | Gong, G, Pinotsis, N, Williams, R.L, Vanhaesebroeck, B. | | 登録日 | 2021-08-13 | | 公開日 | 2022-08-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.49943733 Å) | | 主引用文献 | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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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 | 2022-11-02 | | 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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7VVZ
 | | NuA4 bound to the nucleosome | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | | 著者 | Qu, K, Chen, Z. | | 登録日 | 2021-11-09 | | 公開日 | 2022-08-10 | | 最終更新日 | 2022-11-16 | | 実験手法 | ELECTRON MICROSCOPY (8.8 Å) | | 主引用文献 | Structure of the NuA4 acetyltransferase complex bound to the nucleosome.
Nature, 610, 2022
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7TYR
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7Z61
 | | Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 18) | | 分子名称: | 9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Goldberg, F.W, Ting, A.K.T, Schimpl, M. | | 登録日 | 2022-03-10 | | 公開日 | 2022-07-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.738 Å) | | 主引用文献 | Optimization of hERG and Pharmacokinetic Properties for Basic Dihydro-8 H -purin-8-one Inhibitors of DNA-PK.
Acs Med.Chem.Lett., 13, 2022
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7R26
 | | PI3K delta in complex with SD5 | | 分子名称: | 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | | 登録日 | 2022-02-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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7R2B
 | | PI3Kdelta in complex with an inhibitor | | 分子名称: | (4~{S})-3-[6-[2-azanyl-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-yl-pyrimidin-4-yl]-4-methyl-1,3-oxazolidin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Gutmann, S, Rummel, G, Shrestha, B. | | 登録日 | 2022-02-04 | | 公開日 | 2022-05-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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7TZ7
 | | PI3K alpha in complex with an inhibitor | | 分子名称: | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Knapp, M.S, Tang, J. | | 登録日 | 2022-02-15 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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7MLK
 | | Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution | | 分子名称: | 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Krake, S.H, Martinez, P.D.G, Poggi, M.L, Ferreira, M.S, Aguiar, A.C.C, Souza, G.E, Wenlock, M, Jones, B, Steinbrecher, T, Day, T, McPhail, J, Burke, J, Yeo, T, Mok, S, Uhlemann, A.C, Fidock, D.A, Chen, P, Grodsky, N, Deng, Y.L, Guido, R.V.C, Campbell, S.F, Willis, P.A, Dias, L.C. | | 登録日 | 2021-04-28 | | 公開日 | 2022-05-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Discovery of 2,6-disubstituted pyrazines as potent PI4K inhibitors with antimalarial activity
To Be Published
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7R9Y
 | | Structure of PIK3CA with covalent inhibitor 22 | | 分子名称: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Burke, J.E, McPhail, J.A. | | 登録日 | 2021-06-29 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 2022
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7R9V
 | | Structure of PIK3CA with covalent inhibitor 19 | | 分子名称: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Burke, J.E, McPhail, J.A. | | 登録日 | 2021-06-29 | | 公開日 | 2022-04-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha.
J.Am.Chem.Soc., 144, 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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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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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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7LQ1
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 28 | | 分子名称: | CHLORIDE ION, N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | 著者 | Lesburg, C.A, Augustin, M. | | 登録日 | 2021-02-12 | | 公開日 | 2022-02-16 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | | 主引用文献 | Discovery of a new series of PI3K-delta inhibitors from Virtual Screening.
Bioorg.Med.Chem.Lett., 42, 2021
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7SIC
 | | Human ATM Dimer | | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine-protein kinase ATM | | 著者 | Warren, C, Pavletich, N.P. | | 登録日 | 2021-10-13 | | 公開日 | 2022-02-02 | | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | | 主引用文献 | Structure of the human ATM kinase and mechanism of Nbs1 binding.
Elife, 11, 2022
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7SID
 | | Human ATM Dimer Bound to Nbs1 | | 分子名称: | MAGNESIUM ION, Nibrin, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Warren, C, Pavletich, N.P. | | 登録日 | 2021-10-13 | | 公開日 | 2022-02-02 | | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | | 主引用文献 | Structure of the human ATM kinase and mechanism of Nbs1 binding.
Elife, 11, 2022
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7OTP
 | | DNA-PKcs in complex with ATPgammaS-Mg | | 分子名称: | DNA-dependent protein kinase catalytic subunit,DNA-PKcs, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | 著者 | Liang, S, Thomas, S.E, Blundell, T.L. | | 登録日 | 2021-06-10 | | 公開日 | 2022-01-12 | | 最終更新日 | 2022-02-09 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
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7OTY
 | | DNA-PKcs in complex with M3814 | | 分子名称: | (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | | 著者 | Liang, S, Thomas, S.E, Blundell, T.L. | | 登録日 | 2021-06-10 | | 公開日 | 2022-01-12 | | 最終更新日 | 2022-10-05 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
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