6PYS

Human PI3Kalpha in complex with Compound 2-10 ((3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one)

Summary for 6PYS

• Entry DOI: 10.2210/pdb6pys/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, (3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-dihydro-2H-indol-2-one, GLYCEROL, ... (4 entities in total)
• Functional Keywords: pi3kalpha kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 110613.78

Authors

Lesburg, C.A.,Augustin, M.A. (deposition date: 2019-07-30, release date: 2019-08-28, Last modification date: 2024-03-13)

• Primary citation: Fradera, X.,Methot, J.L.,Achab, A.,Christopher, M.,Altman, M.D.,Zhou, H.,McGowan, M.A.,Kattar, S.D.,Wilson, K.,Garcia, Y.,Augustin, M.A.,Lesburg, C.A.,Shah, S.,Goldenblatt, P.,Katz, J.D.; Design of selective PI3K delta inhibitors using an iterative scaffold-hopping workflow.; Bioorg.Med.Chem.Lett., 29:2575-2580, 2019; PubMed: 31416665; DOI: 10.1016/j.bmcl.2019.08.004

Experimental method

X-RAY DIFFRACTION (2.19 Å)