7Z61

Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 18)

Summary for 7Z61

Entry DOI	10.2210/pdb7z61/pdb
Descriptor	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one (2 entities in total)
Functional Keywords	type i kinase inhibitor, structure-baed drug design, signaling protein
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	111120.52
Authors	Goldberg, F.W.,Ting, A.K.T.,Schimpl, M. (deposition date: 2022-03-10, release date: 2022-07-13, Last modification date: 2022-08-31)
Primary citation	Goldberg, F.W.,Ting, A.K.T.,Beattie, D.,Lamont, G.M.,Fallan, C.,Finlay, M.R.V.,Williamson, B.,Schimpl, M.,Harmer, A.R.,Adeyemi, O.B.,Nordell, P.,Cronin, A.S.,Vazquez-Chantada, M.,Barratt, D.,Ramos-Montoya, A.,Cadogan, E.B.,Davies, B.R. Optimization of hERG and Pharmacokinetic Properties for Basic Dihydro-8 H -purin-8-one Inhibitors of DNA-PK. Acs Med.Chem.Lett., 13:1295-1301, 2022 Cited by PubMed: 35978693 DOI: 10.1021/acsmedchemlett.2c00172 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.738 Å)

Structure validation