5DXH

p110alpha/p85alpha with compound 5

Summary for 5DXH

• Entry DOI: 10.2210/pdb5dxh/pdb
• Related: 5DXT 5DXU
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, methyl {2-[4-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-8-yl}carbamate (3 entities in total)
• Functional Keywords: lipid kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 4
• Total formula weight: 291292.53

Authors

Heffron, T.P.,Heald, R.A.,Ndubaku, C.,Wei, B.Q.,Augustin, M.,Do, S.,Edgar, K.,Eigenbrot, C.,Friedman, L.,Gancia, E.,Jackson, P.S.,Jones, G.,Kolesnikov, A.,Lee, L.B.,Lesnick, J.D.,Lewis, C.,McLean, N.,Mortle, M.,Nonomiya, J.,Pang, J.,Price, S.,Prior, W.W.,Salphati, L.,Sideris, S.,Staben, S.,Steinbacher, S.,Tsui, V.,Wallin, J.,Sampath, D.,Olivero, A. (deposition date: 2015-09-23, release date: 2016-01-27, Last modification date: 2024-03-06)

• Primary citation: Heffron, T.P.,Heald, R.A.,Ndubaku, C.,Wei, B.,Augistin, M.,Do, S.,Edgar, K.,Eigenbrot, C.,Friedman, L.,Gancia, E.,Jackson, P.S.,Jones, G.,Kolesnikov, A.,Lee, L.B.,Lesnick, J.D.,Lewis, C.,McLean, N.,Mortl, M.,Nonomiya, J.,Pang, J.,Price, S.,Prior, W.W.,Salphati, L.,Sideris, S.,Staben, S.T.,Steinbacher, S.,Tsui, V.,Wallin, J.,Sampath, D.,Olivero, A.G.; The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).; J.Med.Chem., 59:985-1002, 2016; PubMed: 26741947; DOI: 10.1021/acs.jmedchem.5b01483

Experimental method

X-RAY DIFFRACTION (3 Å)