8TSD

Human PI3K p85alpha/p110alpha bound to RLY-2608

Summary for 8TSD

• Entry DOI: 10.2210/pdb8tsd/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide (3 entities in total)
• Functional Keywords: lipid kinase, signaling protein, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 2
• Total formula weight: 159798.43

Authors

Holliday, M.,Tang, Y.,Bulku, A.,Wilbur, J.,Fraser, J. (deposition date: 2023-08-11, release date: 2023-11-22, Last modification date: 2024-02-21)

• Primary citation: Varkaris, A.,Pazolli, E.,Gunaydin, H.,Wang, Q.,Pierce, L.,Boezio, A.A.,Bulku, A.,DiPietro, L.,Fridrich, C.,Frost, A.,Giordanetto, F.,Hamilton, E.P.,Harris, K.,Holliday, M.,Hunter, T.L.,Iskandar, A.,Ji, Y.,Larivee, A.,LaRochelle, J.R.,Lescarbeau, A.,Llambi, F.,Lormil, B.,Mader, M.M.,Mar, B.G.,Martin, I.,McLean, T.H.,Michelsen, K.,Pechersky, Y.,Puente-Poushnejad, E.,Raynor, K.,Rogala, D.,Samadani, R.,Schram, A.M.,Shortsleeves, K.,Swaminathan, S.,Tajmir, S.,Tan, G.,Tang, Y.,Valverde, R.,Wehrenberg, B.,Wilbur, J.,Williams, B.R.,Zeng, H.,Zhang, H.,Walters, W.P.,Wolf, B.B.,Shaw, D.E.,Bergstrom, D.A.,Watters, J.,Fraser, J.S.,Fortin, P.D.,Kipp, D.R.; Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia.; Cancer Discov, 14:240-257, 2024; PubMed: 37916956; DOI: 10.1158/2159-8290.CD-23-0944

Experimental method

X-RAY DIFFRACTION (2.7 Å)