6T3C

Crystal structure of PI3Kgamma in complex with DNA-PK inhibitor AZD7648

Summary for 6T3C

• Entry DOI: 10.2210/pdb6t3c/pdb
• Related: 6T3B
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one (2 entities in total)
• Functional Keywords: kinase fold, type i kinase inhibitor, structure based drug design, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 111107.51

Authors

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: 2024-01-24)

• 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 (2.62 Å)