8V8U

PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12).

Summary for 8V8U

• Entry DOI: 10.2210/pdb8v8u/pdb
• Related: 8V8H 8V8I 8V8J 8V8V
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, (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, ... (5 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: 318700.68

Authors

Gunn, R.J.,Lawson, J.D. (deposition date: 2023-12-06, 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; PubMed: 38477582; DOI: 10.1021/acs.jmedchem.4c00078

Experimental method

X-RAY DIFFRACTION (2.93 Å)