5YZ0
 
 | | Cryo-EM Structure of human ATR-ATRIP complex | | Descriptor: | ATR-interacting protein, Serine/threonine-protein kinase ATR | | Authors: | Rao, Q, Liu, M, Tian, Y, Wu, Z, Wang, H, Wang, J, Xu, Y. | | Deposit date: | 2017-12-11 | | Release date: | 2018-01-31 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Cryo-EM structure of human ATR-ATRIP complex.
Cell Res., 28, 2018
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3DBS
 | | Structure of PI3K gamma in complex with GDC0941 | | Descriptor: | 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 | | Authors: | Wiesmann, C, Ultsch, M. | | Deposit date: | 2008-06-02 | | Release date: | 2008-06-17 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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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6BQ1
 | | Human PI4KIIIa lipid kinase complex | | Descriptor: | 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide, Phosphatidylinositol 4-kinase III alpha (PI4KA), Protein FAM126A, ... | | Authors: | Lees, J.A, Zhang, Y, Oh, M, Schauder, C.M, Yu, X, Baskin, J, Dobbs, K, Notarangelo, L.D, Camilli, P.D, Walz, T, Reinisch, K.M. | | Deposit date: | 2017-11-27 | | Release date: | 2017-12-13 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Architecture of the human PI4KIII alpha lipid kinase complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3CST
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3APD
 | | Crystal structure of human PI3K-gamma in complex with CH5108134 | | Descriptor: | 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | | Deposit date: | 2010-10-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
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3APC
 | | Crystal structure of human PI3K-gamma in complex with CH5132799 | | Descriptor: | 5-(7-Methanesulfonyl-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | | Deposit date: | 2010-10-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.544 Å) | | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
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6K9K
 | | Monomeric human ATM (Ataxia telangiectasia mutated) kinase | | Descriptor: | Serine-protein kinase ATM | | Authors: | Xiao, J, Liu, M, Qi, Y, Yuriy, C, Zhang, P, Xu, Y. | | Deposit date: | 2019-06-16 | | Release date: | 2019-12-25 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (7.82 Å) | | Cite: | Structural insights into the activation of ATM kinase.
Cell Res., 29, 2019
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6JXC
 | | Tel1 kinase butterfly symmetric dimer | | Descriptor: | Serine/threonine-protein kinase TEL1 | | Authors: | Xin, J. | | Deposit date: | 2019-04-23 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis of allosteric regulation of Tel1/ATM kinase.
Cell Res., 29, 2019
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3DPD
 | | Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-Dihydro-2H-benzo[1,4]oxazines | | Descriptor: | 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 | | Authors: | Ceska, T.A. | | Deposit date: | 2008-07-08 | | Release date: | 2008-08-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 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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3APF
 | | Crystal structure of human PI3K-gamma in complex with CH5039699 | | Descriptor: | 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M. | | Deposit date: | 2010-10-14 | | Release date: | 2011-04-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
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6C1S
 | | Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | | Descriptor: | 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 | | Authors: | Jacobs, M.D, Griffin, J.P. | | Deposit date: | 2018-01-05 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | 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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6MUM
 | | Murine PI3K delta kinsae domain - cpd 3 | | Descriptor: | 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 | | Authors: | Fischmann, T.O. | | Deposit date: | 2018-10-23 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability.
J.Med.Chem., 62, 2019
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4OYS
 | | CRYSTAL STRUCTURE OF VPS34 IN COMPLEX WITH SAR405. | | Descriptor: | (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 | | Authors: | Mathieu, M, Marquette, J.p. | | Deposit date: | 2014-02-13 | | Release date: | 2014-10-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A highly potent and selective Vps34 inhibitor alters vesicle trafficking and autophagy.
Nat.Chem.Biol., 10, 2014
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8AJ8
 | | Structure of p110 gamma bound to the p84 regulatory subunit | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 6 | | Authors: | Burke, J.E, Williams, R.L, Zhang, X. | | Deposit date: | 2022-07-27 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (8.5 Å) | | Cite: | Molecular basis for differential activation of p101 and p84 complexes of PI3K gamma by Ras and GPCRs.
Cell Rep, 42, 2023
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4PLA
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8BOT
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8BFU
 | | Crystal structure of the apo p110alpha catalytic subunit from homo sapiens | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L. | | Deposit date: | 2022-10-26 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
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4PS7
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4PH4
 | | The crystal structure of Human VPS34 in complex with PIK-III | | Descriptor: | 4'-(cyclopropylmethyl)-N~2~-(pyridin-4-yl)-4,5'-bipyrimidine-2,2'-diamine, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | | Authors: | Knapp, M.S, Elling, R.A. | | Deposit date: | 2014-05-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Selective VPS34 inhibitor blocks autophagy and uncovers a role for NCOA4 in ferritin degradation and iron homeostasis in vivo.
Nat.Cell Biol., 16, 2014
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8BCY
 | | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | | Descriptor: | 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 | | Authors: | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | | Deposit date: | 2022-10-17 | | Release date: | 2023-05-10 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | 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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4PS3
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8BHV
 | | DNA-PK XLF mediated dimer bound to PAXX | | Descriptor: | DNA (24-MER), DNA (26-MER), DNA (27-MER), ... | | Authors: | Hardwick, S.W, Chaplin, A.K. | | Deposit date: | 2022-11-01 | | Release date: | 2023-06-07 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.51 Å) | | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
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8BH3
 | | DNA-PK Ku80 mediated dimer bound to PAXX | | Descriptor: | DNA (25-MER), DNA (26-MER), DNA (27-MER), ... | | Authors: | Hardwick, S.W, Chaplin, A.K. | | Deposit date: | 2022-10-28 | | Release date: | 2023-06-07 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
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8BHY
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4PS8
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