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TitleSTX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts.
Journal, issue, pagesCancer Discov, Vol. 13, Page 2432-2447, Year 2023
Publish dateJul 5, 2023 (structure data deposition date)
AuthorsBuckbinder, L. / St Jean Jr., D.J. / Tieu, T. / Ladd, B. / Hilbert, B. / Wang, W. / Alltucker, J.T. / Manimala, S. / Kryukov, G.V. / Brooijmans, N. ...Buckbinder, L. / St Jean Jr., D.J. / Tieu, T. / Ladd, B. / Hilbert, B. / Wang, W. / Alltucker, J.T. / Manimala, S. / Kryukov, G.V. / Brooijmans, N. / Dowdell, G. / Jonsson, P. / Huff, M. / Guzman-Perez, A. / Jackson, E.L. / Goncalves, M.D. / Stuart, D.D.
External linksCancer Discov / PubMed:37623743
MethodsX-ray diffraction
Resolution2.928 - 3.11 Å
Structure data

PDB-8tdu:
STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha
Method: X-RAY DIFFRACTION / Resolution: 3.11 Å

PDB-8tgd:
STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha
Method: X-RAY DIFFRACTION / Resolution: 2.928 Å

Chemicals

ChemComp-X3N:
N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide

ChemComp-ZWE:
N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea

ChemComp-HOH:
WATER

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase / Inhibitor / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE/TRANSFERSE INHIBITOR / TRANSFERASE-TRANSFERSE INHIBITOR complex

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