8EXU
Crystal structure of PI3K-alpha in complex with compound 30
Summary for 8EXU
Entry DOI | 10.2210/pdb8exu/pdb |
Related | 8EXL 8EXO |
Descriptor | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide (3 entities in total) |
Functional Keywords | pi3k, drug, inhibitor, cancer, oncology, cell cycle |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 126402.67 |
Authors | Kiefer, J.R.,Eigenbrot, C.,Staben, S.T.,Hanan, E.J.,Wallweber, H.J.A.,Ultsch, M.,Braun, M.G.,Friedman, L.S.,Purkey, H.E. (deposition date: 2022-10-25, release date: 2022-11-30, Last modification date: 2024-05-22) |
Primary citation | Hanan, E.J.,Braun, M.G.,Heald, R.A.,MacLeod, C.,Chan, C.,Clausen, S.,Edgar, K.A.,Eigenbrot, C.,Elliott, R.,Endres, N.,Friedman, L.S.,Gogol, E.,Gu, X.H.,Thibodeau, R.H.,Jackson, P.S.,Kiefer, J.R.,Knight, J.D.,Nannini, M.,Narukulla, R.,Pace, A.,Pang, J.,Purkey, H.E.,Salphati, L.,Sampath, D.,Schmidt, S.,Sideris, S.,Song, K.,Sujatha-Bhaskar, S.,Ultsch, M.,Wallweber, H.,Xin, J.,Yeap, S.,Young, A.,Zhong, Y.,Staben, S.T. Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65:16589-16621, 2022 Cited by PubMed: 36455032DOI: 10.1021/acs.jmedchem.2c01422 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.68 Å) |
Structure validation
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