3LJ3

PI3-kinase-gamma with a pyrrolopyridine-benzofuran inhibitor

Summary for 3LJ3

• Entry DOI: 10.2210/pdb3lj3/pdb
• Descriptor: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, (2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one, ... (4 entities in total)
• Functional Keywords: atp-binding, kinase, nucleotide-binding, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P48736
• Total number of polymer chains: 1
• Total formula weight: 111354.72

Authors

Bard, J.,Svenson, K. (deposition date: 2010-01-25, release date: 2010-04-14, Last modification date: 2023-09-06)

• Primary citation: Tsou, H.R.,MacEwan, G.,Birnberg, G.,Grosu, G.,Bursavich, M.G.,Bard, J.,Brooijmans, N.,Toral-Barza, L.,Hollander, I.,Mansour, T.S.,Ayral-Kaloustian, S.,Yu, K.; Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).; Bioorg.Med.Chem.Lett., 20:2321-2325, 2010; PubMed: 20188552; DOI: 10.1016/j.bmcl.2010.01.135

Experimental method

X-RAY DIFFRACTION (2.43 Å)