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Structure paper

TitleSpecific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Journal, issue, pagesNat Commun, Vol. 9, Page 2368-2368, Year 2018
Publish dateJan 6, 2017 (structure data deposition date)
AuthorsFanning, S.W. / Hodges-Gallagher, L. / Myles, D.C. / Sun, R. / Fowler, C.E. / Plant, I.N. / Green, B.D. / Harmon, C.L. / Greene, G.L. / Kushner, P.J.
External linksNat Commun / PubMed:29915250
MethodsX-ray diffraction
Resolution1.5503 - 1.997 Å
Structure data

PDB-5ufw:
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154
Method: X-RAY DIFFRACTION / Resolution: 1.583 Å

PDB-5ufx:
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1074
Method: X-RAY DIFFRACTION / Resolution: 1.5503 Å

PDB-6c42:
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156
Method: X-RAY DIFFRACTION / Resolution: 1.997 Å

Chemicals

ChemComp-86V:
(2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol

ChemComp-HOH:
WATER

ChemComp-86Y:
(2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol

ChemComp-85M:
(2R,3S,4R)-3-(4-hydroxyphenyl)-4-methyl-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-3,4-dihydro-2H-1-benzopyran-7-ol

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Estrogen / Breast Cancer / Hormone / Nuclear Hormone Receptor / Steroid / Acquired Resistance / trascription/transcription inhibitor / Estrogen Receptor Alpha / Antiestrogen / Selective Estrogen Receptor Degrader / Endocrine Therapy / Steroid Receptor / Acquired Antiestrogen Resistance / trascription-transcription inhibitor complex

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