6T3B

Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4)

Summary for 6T3B

• Entry DOI: 10.2210/pdb6t3b/pdb
• Related: 6T3C
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one (2 entities in total)
• Functional Keywords: kinase fold, pi3 kinase, type i kinase inhibitor, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 111110.55

Authors

Petersen, J.,Oster, L.,Schimpl, M.,Goldberg, F.W.,Finlay, M.R.V.,Ting, A.K.T.,Beattie, D.,Lamont, G.M.,Fallan, C.,Wrigley, G.L.,Howard, M.R.,Williamson, B.,Davies, B.R.,Cadogan, E.B.,Ramos-Montoya, A.,Dean, E. (deposition date: 2019-10-10, release date: 2020-01-01, Last modification date: 2024-05-01)

• Primary citation: Goldberg, F.W.,Finlay, M.R.V.,Ting, A.K.T.,Beattie, D.,Lamont, G.M.,Fallan, C.,Wrigley, G.L.,Schimpl, M.,Howard, M.R.,Williamson, B.,Vazquez-Chantada, M.,Barratt, D.G.,Davies, B.R.,Cadogan, E.B.,Ramos-Montoya, A.,Dean, E.; The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.; J.Med.Chem., 63:3461-3471, 2020; PubMed: 31851518; DOI: 10.1021/acs.jmedchem.9b01684

Experimental method

X-RAY DIFFRACTION (3.01 Å)