8TS9

Human PI3K p85alpha/p110alpha H1047R bound to compound 1

8TS9 の概要

• エントリーDOI: 10.2210/pdb8ts9/pdb
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide (3 entities in total)
• 機能のキーワード: lipid kinase, signaling protein, signaling protein-inhibitor complex, signaling protein/inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 159266.55

構造登録者

Holliday, M.,Tang, Y.,Bulku, A.,Wilbur, J.,Fraser, J. (登録日: 2023-08-11, 公開日: 2023-11-22, 最終更新日: 2024-02-21)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.83 Å)