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TitleDiscovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 1342-1347, Year 2020
Publish dateApr 24, 2020 (structure data deposition date)
AuthorsLiang, J. / Blake, R. / Chang, J. / Friedman, L.S. / Goodacre, S. / Hartman, S. / Ingalla, E.R. / Kiefer, J.R. / Kleinheinz, T. / Labadie, S. ...Liang, J. / Blake, R. / Chang, J. / Friedman, L.S. / Goodacre, S. / Hartman, S. / Ingalla, E.R. / Kiefer, J.R. / Kleinheinz, T. / Labadie, S. / Li, J. / Lai, K.W. / Liao, J. / Mody, V. / McLean, N. / Metcalfe, C. / Nannini, M. / Otwine, D. / Ran, Y. / Ray, N. / Roussel, F. / Sambrone, A. / Sampath, D. / Vinogradova, M. / Wai, J. / Wang, T. / Yeap, K. / Young, A. / Zbieg, J. / Zhang, B. / Zheng, X. / Zhong, Y. / Wang, X.
External linksAcs Med. Chem. Lett. / PubMed:32551022
MethodsX-ray diffraction
Resolution2.309 Å
Structure data

PDB-6wok:
Crystal structure of estrogen receptor alpha in complex with receptor degrader 6
Method: X-RAY DIFFRACTION / Resolution: 2.309 Å

Chemicals

ChemComp-G9J:
(2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol

ChemComp-U6D:
(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsNUCLEAR PROTEIN / ERA / antagonist / inverse agonist / receptor / breast cancer / degrader / ligand / estrogen receptor

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