3IHY
 
 | | Human PIK3C3 crystal structure | | 分子名称: | Phosphatidylinositol 3-kinase catalytic subunit type 3 | | 著者 | Siponen, M.I, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Moche, M, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2009-07-31 | | 公開日 | 2009-10-13 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Human PIK3C3 crystal structure
TO BE PUBLISHED
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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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3T8M
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3CSF
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3CST
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5LUQ
 | | Crystal Structure of Human DNA-dependent Protein Kinase Catalytic Subunit (DNA-PKcs) | | 分子名称: | C-terminal fragment of KU80 (KU80ct194), DNA-dependent protein kinase catalytic subunit,DNA-dependent Protein Kinase Catalytic Subunit,DNA-dependent protein kinase catalytic subunit | | 著者 | Sibanda, B.L, Chirgadze, D.Y, Ascher, D.B, Blundell, T.L. | | 登録日 | 2016-09-09 | | 公開日 | 2017-02-15 | | 最終更新日 | 2018-03-28 | | 実験手法 | X-RAY DIFFRACTION (4.3 Å) | | 主引用文献 | DNA-PKcs structure suggests an allosteric mechanism modulating DNA double-strand break repair.
Science, 355, 2017
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5JHA
 | | Structure of Phosphoinositide 3-kinase gamma (PI3K) bound to the potent inhibitor PIKin2 | | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, [1-{4-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-6-(morpholin-4-yl)pyrimidin-2-yl}-3-(chloromethyl)azetidin-3-yl]methanol | | 著者 | Burke, J.E, Inglis, A.J, Williams, R.L. | | 登録日 | 2016-04-20 | | 公開日 | 2017-03-15 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
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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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3JBZ
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7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | 登録日 | 2021-08-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.881 Å) | | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSP
 | | Structure of the VPS34 kinase domain with compound 14 | | 分子名称: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | 登録日 | 2021-08-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | 分子名称: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | 著者 | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | 登録日 | 2021-08-11 | | 公開日 | 2021-11-24 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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7SGL
 | | DNA-PK complex of DNA end processing | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, Hairpin_1, ... | | 著者 | Liu, L, Li, J, Chen, X, Yang, W, Gellert, M. | | 登録日 | 2021-10-06 | | 公開日 | 2022-01-12 | | 最終更新日 | 2022-01-19 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
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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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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 | | 最終更新日 | 2024-06-05 | | 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 | | 最終更新日 | 2024-06-05 | | 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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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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6JXA
 | | Tel1 kinase compact monomer | | 分子名称: | Serine/threonine-protein kinase TEL1 | | 著者 | Xin, J. | | 登録日 | 2019-04-23 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structural basis of allosteric regulation of Tel1/ATM kinase.
Cell Res., 29, 2019
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6K9K
 | | Monomeric human ATM (Ataxia telangiectasia mutated) kinase | | 分子名称: | Serine-protein kinase ATM | | 著者 | Xiao, J, Liu, M, Qi, Y, Yuriy, C, Zhang, P, Xu, Y. | | 登録日 | 2019-06-16 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (7.82 Å) | | 主引用文献 | Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
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6L54
 | | Structure of SMG189 | | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Protein SMG8, ... | | 著者 | Xu, Y, Qi, Y. | | 登録日 | 2019-10-22 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.43 Å) | | 主引用文献 | Cryo-EM structure of SMG1-SMG8-SMG9 complex.
Cell Res., 29, 2019
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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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6OCO
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 6 | | 分子名称: | 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile, 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 | 2019-03-25 | | 公開日 | 2019-12-11 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Discovery and optimization of heteroaryl piperazines as potent and selective PI3K delta inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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4YC4
 | | Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with nucleotide analog | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha,Lysozyme,Phosphatidylinositol 4-kinase type 2-alpha, [(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol | | 著者 | Klima, M, Boura, E. | | 登録日 | 2015-02-19 | | 公開日 | 2015-07-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design.
Acta Crystallogr.,Sect.D, 71, 2015
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6L53
 | | Structure of SMG1 | | 分子名称: | Serine/threonine-protein kinase SMG1 | | 著者 | Xu, Y, Qi, Y. | | 登録日 | 2019-10-22 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.63 Å) | | 主引用文献 | Cryo-EM structure of SMG1-SMG8-SMG9 complex.
Cell Res., 29, 2019
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5ANL
 | | Crystal structure of VPS34 in complex with (2S)-8-((3R)-3- Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3, 4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one, processed with the CrystalDirect automated mounting and cryo-cooling technology | | 分子名称: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | | 著者 | Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A. | | 登録日 | 2015-09-07 | | 公開日 | 2016-04-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
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