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Structure paper

TitleA small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Journal, issue, pagesNature, Vol. 618, Page 159-168, Year 2023
Publish dateAug 13, 2021 (structure data deposition date)
AuthorsGong, G.Q. / Bilanges, B. / Allsop, B. / Masson, G.R. / Roberton, V. / Askwith, T. / Oxenford, S. / Madsen, R.R. / Conduit, S.E. / Bellini, D. ...Gong, G.Q. / Bilanges, B. / Allsop, B. / Masson, G.R. / Roberton, V. / Askwith, T. / Oxenford, S. / Madsen, R.R. / Conduit, S.E. / Bellini, D. / Fitzek, M. / Collier, M. / Najam, O. / He, Z. / Wahab, B. / McLaughlin, S.H. / Chan, A.W.E. / Feierberg, I. / Madin, A. / Morelli, D. / Bhamra, A. / Vinciauskaite, V. / Anderson, K.E. / Surinova, S. / Pinotsis, N. / Lopez-Guadamillas, E. / Wilcox, M. / Hooper, A. / Patel, C. / Whitehead, M.A. / Bunney, T.D. / Stephens, L.R. / Hawkins, P.T. / Katan, M. / Yellon, D.M. / Davidson, S.M. / Smith, D.M. / Phillips, J.B. / Angell, R. / Williams, R.L. / Vanhaesebroeck, B.
External linksNature / PubMed:37225977
MethodsX-ray diffraction
Resolution2.20029074868 - 2.57 Å
Structure data

PDB-7pg5:
Crystal Structure of PI3Kalpha
Method: X-RAY DIFFRACTION / Resolution: 2.20029074868 Å

PDB-7pg6:
Crystal Structure of PI3Kalpha in complex with the inhibitor NVP-BYL719
Method: X-RAY DIFFRACTION / Resolution: 2.49943744477 Å

PDB-8bfu:
Crystal structure of the apo p110alpha catalytic subunit from homo sapiens
Method: X-RAY DIFFRACTION / Resolution: 2.41 Å

PDB-8ow2:
Crystal structure of the p110alpha catalytic subunit from homo sapiens in complex with activator 1938
Method: X-RAY DIFFRACTION / Resolution: 2.57 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-1LT:
(2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide / medication*YM

ChemComp-NA:
Unknown entry

ChemComp-QIH:
1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PI3K / PIK3CA / PIK3R1 / p110 / p85 / compound / NVP-BYL719 / oncoprotein / cardioprotection / neuroregeneration / kinase

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