8SBC

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

Summary for 8SBC

• Entry DOI: 10.2210/pdb8sbc/pdb
• Descriptor: 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-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine, ... (5 entities in total)
• Functional Keywords: lipid kinase, mutant, p85, nish2, brain-penetrant, mtor, transferase
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 2
• Total formula weight: 160921.16

Authors

Knapp, M.S.,Elling, R.A.,Tang, J. (deposition date: 2023-04-03, release date: 2023-07-19)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.3 Å)