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 Cited by PubMed: 31416665DOI: 10.1016/j.bmcl.2019.08.004 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.19 Å) |
Structure validation
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