7TZ7

PI3K alpha in complex with an inhibitor

Summary for 7TZ7

• Entry DOI: 10.2210/pdb7tz7/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, ... (4 entities in total)
• Functional Keywords: inhibitor, heterodimer, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 2
• Total formula weight: 160627.61

Authors

Knapp, M.S.,Tang, J. (deposition date: 2022-02-15, release date: 2022-05-18, Last modification date: 2023-10-18)

• Primary citation: Fairhurst, R.A.,Furet, P.,Imbach-Weese, P.,Stauffer, F.,Rueeger, H.,McCarthy, C.,Ripoche, S.,Oswald, S.,Arnaud, B.,Jary, A.,Maira, M.,Schnell, C.,Guthy, D.A.,Wartmann, M.,Kiffe, M.,Desrayaud, S.,Blasco, F.,Widmer, T.,Seiler, F.,Gutmann, S.,Knapp, M.,Caravatti, G.; Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.; J.Med.Chem., 65:8345-8379, 2022; PubMed: 35500094; DOI: 10.1021/acs.jmedchem.2c00267

Experimental method

X-RAY DIFFRACTION (2.41 Å)