9YF2

Crystal structure of PI3Ka H1047R mutant in complex with PRT7140 in allosteric pocket

This is a non-PDB format compatible entry.

Summary for 9YF2

• Entry DOI: 10.2210/pdb9yf2/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 2-({(1R)-1-[2-(1,3-dihydro-2H-isoindol-2-yl)-6-methyl-3-(oxan-4-yl)-4-oxo-3,4-dihydroquinazolin-8-yl]ethyl}amino)benzoic acid, ... (4 entities in total)
• Functional Keywords: pi3ka, p110-p85 complex, h1047r mutant, oncoprotein
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 2
• Total formula weight: 156933.47

Authors

Wang, M. (deposition date: 2025-09-25, release date: 2026-09-30)

• Primary citation: Chen, C.,Holmes, R.,Carter, J.,Maity, S.,Pawley, S.,Stahl, N.,Crossan, A.,Rager, J.,Juvekar, A.,Wang, M.,Xu, C.,Kuskovsky, R.,Sivakumar, M.,Gallagher, K.,Leal, R.,Geeganage, S.,Scherle, P.,Combs, A.,Buesking, A.; Discovery of Tetrasubstituted Quinazolin-4(3 H )-ones as Wild-type-sparing, Highly Selective PI3K alpha H1047R Inhibitors; J.Med.Chem., 2026; DOI: 10.1021/acs.jmedchem.6c00269

Experimental method

X-RAY DIFFRACTION (3.61 Å)