8V8H
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4).
Summary for 8V8H
Entry DOI | 10.2210/pdb8v8h/pdb |
Related | 8V8I 8V8J 8V8U 8V8V |
Descriptor | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, ... (4 entities in total) |
Functional Keywords | h1047r, pi3k, pi3ka, signaling protein |
Biological source | Homo sapiens (human) More |
Total number of polymer chains | 4 |
Total formula weight | 318638.93 |
Authors | Gunn, R.J.,Lawson, J.D. (deposition date: 2023-12-05, release date: 2024-03-20, Last modification date: 2024-04-10) |
Primary citation | Ketcham, J.M.,Harwood, S.J.,Aranda, R.,Aloiau, A.N.,Bobek, B.M.,Briere, D.M.,Burns, A.C.,Caddell Haatveit, K.,Calinisan, A.,Clarine, J.,Elliott, A.,Engstrom, L.D.,Gunn, R.J.,Ivetac, A.,Jones, B.,Kuehler, J.,Lawson, J.D.,Nguyen, N.,Parker, C.,Pearson, K.E.,Rahbaek, L.,Saechao, B.,Wang, X.,Waters, A.,Waters, L.,Watkins, A.H.,Olson, P.,Smith, C.R.,Christensen, J.G.,Marx, M.A. Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein. J.Med.Chem., 67:4936-4949, 2024 Cited by PubMed: 38477582DOI: 10.1021/acs.jmedchem.4c00078 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (3.58 Å) |
Structure validation
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