8SBJ

Co-structure Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform complexed with brain penetrant inhibitors

8SBJ の概要

• エントリーDOI: 10.2210/pdb8sbj/pdb
• 分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, (2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine, ... (4 entities in total)
• 機能のキーワード: lipid kinase, mutant, p85, nish2, brain-penetrant, mtor, transferase
• 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: 160814.07

構造登録者

Knapp, M.S.,Elling, R.A.,Tang, J. (登録日: 2023-04-03, 公開日: 2023-07-19, 最終更新日: 2024-05-22)

• 主引用文献: Bonazzi, S.,Gray, A.,Thomsen, N.M.,Biag, J.,Labbe-Giguere, N.,Keaney, E.P.,Malik, H.A.,Sun, Y.,Nunez, J.,Karki, R.G.,Knapp, M.,Elling, R.,Fuller, J.,Pardee, G.,Craig, L.,Capre, K.,Salas, S.,Gorde, A.,Liang, G.,Lubicka, D.,McTighe, S.M.,Goold, C.,Liu, S.,Deng, L.,Hong, J.,Fekete, A.,Stadelmann, P.,Frieauff, W.,Elhajouji, A.,Bauer, D.,Lerchner, A.,Radetich, B.,Furet, P.,Piizzi, G.,Burdette, D.,Wilson, C.J.,Peukert, S.,Hamann, L.G.,Murphy, L.O.,Curtis, D.; Identification of Brain-Penetrant ATP-Competitive mTOR Inhibitors for CNS Syndromes.; J.Med.Chem., 66:9095-9119, 2023; PubMed: 37399505; DOI: 10.1021/acs.jmedchem.3c00705

実験手法

X-RAY DIFFRACTION (3.1 Å)