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TitleStereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Journal, issue, pagesElife, Vol. 11, Year 2022
Publish dateJul 12, 2019 (structure data deposition date)
AuthorsHosfield, D.J. / Weber, S. / Li, N.S. / Suavage, M. / Joiner, C.F. / Hancock, G.R. / Sullivan, E.A. / Ndukwe, E. / Han, R. / Cush, S. ...Hosfield, D.J. / Weber, S. / Li, N.S. / Suavage, M. / Joiner, C.F. / Hancock, G.R. / Sullivan, E.A. / Ndukwe, E. / Han, R. / Cush, S. / Laine, M. / Mader, S.C. / Greene, G.L. / Fanning, S.W.
External linksElife / PubMed:35575456
MethodsX-ray diffraction
Resolution1.449 - 2.6 Å
Structure data

PDB-6psj:
Bazedoxifene in Complex with Y537S Estrogen Receptor Alpha Ligand Binding Domain
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6v8t:
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-6vpf:
Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7kbs:
Estrogen Receptor Alpha Ligand Binding Domain in Complex with Raloxifene
Method: X-RAY DIFFRACTION / Resolution: 1.834 Å

PDB-7uj7:
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with RU39411
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-7uj8:
Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with 4-Hydroxytamoxifen
Method: X-RAY DIFFRACTION / Resolution: 2.385 Å

PDB-7ujc:
Raloxifene in Complex with Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutation
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-7ujf:
Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-7ujm:
Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-7ujo:
Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411
Method: X-RAY DIFFRACTION / Resolution: 1.449 Å

PDB-7ujw:
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-7ujy:
Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-29S:
Bazedoxifene / medication*YM

ChemComp-HOH:
WATER

ChemComp-C6V:
LSZ102

ChemComp-53Q:
Clomifene

ChemComp-RAL:
RALOXIFENE / medication*YM

ChemComp-NYU:
11alpha-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17beta-diol

ChemComp-OHT:
4-HYDROXYTAMOXIFEN

ChemComp-R3V:
(5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

ChemComp-RL4:
(5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

ChemComp-QYM:
(9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol

ChemComp-MG:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / Estrogen Receptor / Y537S / Bazedoxifene / Steroid / Hormone / Breast cancer / acquired drug resistance / hormone therapy / selective estrogen receptor degrader/downregulator / TRANSFERASE / Selective Estrogen Receptor Modulator / Antiestrogen / Alpha Helical Bundle / SERM / RU39411 / Activating Mutations / hormone receptor / tamoxifen / activating mutation / estrogen / ESTROGEN RECEPTOR ALPHA / DRUG RESISTANCE / ALP HELICAL BUNDLE

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