8EXV

Crystal structure of PI3K-alpha in complex with compound 32

Summary for 8EXV

• Entry DOI: 10.2210/pdb8exv/pdb
• Related: 8EXL 8EXO 8EXU
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide (3 entities in total)
• Functional Keywords: pi3k, drug, inhibitor, cancer, oncology, cell cycle
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 126358.64

Authors

Kiefer, J.R.,Eigenbrot, C.,Staben, S.T.,Hanan, E.J.,Wallweber, H.J.A.,Ultsch, M.,Braun, M.G.,Friedman, L.S.,Purkey, H.E. (deposition date: 2022-10-25, release date: 2022-11-30, Last modification date: 2023-01-04)

• Primary citation: Hanan, E.J.,Braun, M.G.,Heald, R.A.,MacLeod, C.,Chan, C.,Clausen, S.,Edgar, K.A.,Eigenbrot, C.,Elliott, R.,Endres, N.,Friedman, L.S.,Gogol, E.,Gu, X.H.,Thibodeau, R.H.,Jackson, P.S.,Kiefer, J.R.,Knight, J.D.,Nannini, M.,Narukulla, R.,Pace, A.,Pang, J.,Purkey, H.E.,Salphati, L.,Sampath, D.,Schmidt, S.,Sideris, S.,Song, K.,Sujatha-Bhaskar, S.,Ultsch, M.,Wallweber, H.,Xin, J.,Yeap, S.,Young, A.,Zhong, Y.,Staben, S.T.; Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.; J.Med.Chem., 65:16589-16621, 2022; PubMed: 36455032; DOI: 10.1021/acs.jmedchem.2c01422

Experimental method

X-RAY DIFFRACTION (2.48 Å)