5DXT

p110alpha with GDC-0326

Summary for 5DXT

• Entry DOI: 10.2210/pdb5dxt/pdb
• Related: 5DXH 5DXU
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: lipid kinase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 112497.98

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.T.,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 (2.25 Å)