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Structure paper

TitleBuilding Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 10, Page 1492-1497, Year 2019
Publish dateSep 3, 2019 (structure data deposition date)
AuthorsScott, J.S. / Breed, J. / Carbajo, R.J. / Davey, P.R. / Greenwood, R. / Huynh, H.K. / Klinowska, T. / Morrow, C.J. / Moss, T.A. / Polanski, R. ...Scott, J.S. / Breed, J. / Carbajo, R.J. / Davey, P.R. / Greenwood, R. / Huynh, H.K. / Klinowska, T. / Morrow, C.J. / Moss, T.A. / Polanski, R. / Nissink, J.W.M. / Varnes, J. / Yang, B.
External linksAcs Med. Chem. Lett. / PubMed:31620239
MethodsX-ray diffraction
Resolution1.74 - 1.77 Å
Structure data

PDB-6sq0:
ERa_L536S (L536S/C381S/C471S,C530S) in complex with a bridged tetracyclic indole (compound 8)
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-6suo:
ERa_L536S (L536S/C381S/C471S,C530S) in complex with a tricyclic indole (compound 6)
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-LRQ:
Bridged tetracyclic indole

ChemComp-HOH:
WATER

ChemComp-LVH:
(~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid

Source
  • homo sapiens (human)
KeywordsGENE REGULATION / oestrogen receptor / oestrogen binding domain

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