7PG6

Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719

Summary for 7PG6

• Entry DOI: 10.2210/pdb7pg6/pdb
• Related: 7PG5
• 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: pi3k, pik3ca, pik3r1, p110, p85, nvp-byl719, transferase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 159278.28

Authors

Gong, G.,Pinotsis, N.,Williams, R.L.,Vanhaesebroeck, B. (deposition date: 2021-08-13, release date: 2022-08-24, Last modification date: 2024-02-07)

• Primary citation: Gong, G.Q.,Bilanges, B.,Allsop, B.,Masson, G.R.,Roberton, V.,Askwith, T.,Oxenford, S.,Madsen, R.R.,Conduit, S.E.,Bellini, D.,Fitzek, M.,Collier, M.,Najam, O.,He, Z.,Wahab, B.,McLaughlin, S.H.,Chan, A.W.E.,Feierberg, I.,Madin, A.,Morelli, D.,Bhamra, A.,Vinciauskaite, V.,Anderson, K.E.,Surinova, S.,Pinotsis, N.,Lopez-Guadamillas, E.,Wilcox, M.,Hooper, A.,Patel, C.,Whitehead, M.A.,Bunney, T.D.,Stephens, L.R.,Hawkins, P.T.,Katan, M.,Yellon, D.M.,Davidson, S.M.,Smith, D.M.,Phillips, J.B.,Angell, R.,Williams, R.L.,Vanhaesebroeck, B.; A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.; Nature, 618:159-168, 2023; PubMed: 37225977; DOI: 10.1038/s41586-023-05972-2

Experimental method

X-RAY DIFFRACTION (2.49943744477 Å)