8EXU

Crystal structure of PI3K-alpha in complex with compound 30

8EXU の概要

• エントリーDOI: 10.2210/pdb8exu/pdb
• 関連するPDBエントリー: 8EXL 8EXO
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide (3 entities in total)
• 機能のキーワード: pi3k, drug, inhibitor, cancer, oncology, cell cycle
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 126402.67

構造登録者

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. (登録日: 2022-10-25, 公開日: 2022-11-30, 最終更新日: 2024-05-22)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.68 Å)