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8V8J	PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5). Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... Authors: Gunn, R.J, Lawson, J.D. Deposit date: 2023-12-05 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (3.35 Å) Cite: Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
8V8H	PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4). Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... Authors: Gunn, R.J, Lawson, J.D. Deposit date: 2023-12-05 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (3.58 Å) Cite: Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
8V8I	PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5). Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ... Authors: Gunn, R.J, Lawson, J.D. Deposit date: 2023-12-05 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
8V8U	PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12). Descriptor: (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, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... Authors: Gunn, R.J, Lawson, J.D. Deposit date: 2023-12-06 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.93 Å) Cite: Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
8V8V	PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7). Descriptor: (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, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... Authors: Gunn, R.J, Lawson, J.D. Deposit date: 2023-12-06 Release date: 2024-03-20 Last modified: 2024-04-10 Method: X-RAY DIFFRACTION (2.61 Å) Cite: Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67, 2024
8XVV	The TRRAP module of human NuA4/TIP60 complex Descriptor: INOSITOL HEXAKISPHOSPHATE, Isoform 2 of E1A-binding protein p400, Isoform 2 of Transformation/transcription domain-associated protein Authors: Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y. Deposit date: 2024-01-15 Release date: 2024-07-24 Last modified: 2024-07-31 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Structure of the human TIP60 complex To Be Published
8XVG	Structure of human NuA4/TIP60 complex Descriptor: ACTB protein (Fragment), ADENOSINE-5'-DIPHOSPHATE, Actin-like protein 6A, ... Authors: Chen, K, Wang, L, Yu, Z, Yu, J, Ren, Y, Wang, Q, Xu, Y. Deposit date: 2024-01-15 Release date: 2024-07-24 Last modified: 2024-07-31 Method: ELECTRON MICROSCOPY (9.4 Å) Cite: Structure of the human TIP60 complex To Be Published
8RXR	Crystal structure of VPS34 in complex with inhibitor SB02024 Descriptor: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. Deposit date: 2024-02-07 Release date: 2024-03-20 Last modified: 2024-03-27 Method: X-RAY DIFFRACTION (2.06 Å) Cite: Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy. Mol Oncol, 2024
8S3R	HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 Descriptor: 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Authors: Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. Deposit date: 2024-02-20 Release date: 2024-07-03 Last modified: 2024-07-24 Method: X-RAY DIFFRACTION (2.28 Å) Cite: Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation. J.Med.Chem., 67, 2024
9C82	Structure of human ULK1C:PI3KC3-C1 supercomplex Descriptor: Beclin 1-associated autophagy-related key regulator, Beclin-1, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... Authors: Chen, M, Hurley, J.H. Deposit date: 2024-06-11 Release date: 2024-07-03 Method: ELECTRON MICROSCOPY (6.84 Å) Cite: Structure and activation of the human autophagy-initiating ULK1C:PI3KC3-C1 supercomplex bioRxiv, 2023

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