9XW7

Cryo-EM structure of PI3Kalpha E545K mutation in complex with STX-478

Summary for 9XW7

• Entry DOI: 10.2210/pdb9xw7/pdb
• EMDB information: 67327
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea (3 entities in total)
• Functional Keywords: phosphoinositide 3-kinase, drug target, ligand, binding pocket, hotspot mutation, allosteric inhbitor, structural protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 128223.93

Authors

Liu, X.,Chen, Y.,Li, G.,Chen, A.,Zhou, Q.,Wang, M.-W. (deposition date: 2025-11-27, release date: 2026-09-23)

• Primary citation: Liu, X.,Chen, Y.,Li, G.,Chen, A.,Zhou, Q.,Wang, M.W.; Molecular architecture responsible for specific inhibition of oncogenic PI3K alpha mutants by RLY-2608 and STX-478; Acta Pharm Sin B, 2026; DOI: 10.1016/j.apsb.2026.07.003

Experimental method

ELECTRON MICROSCOPY (3.01 Å)