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Structure paper

TitleBenzopyrans as Selective Estrogen Receptor Beta Agonists (Serbas). Part 4: Functionalization of the Benzopyran A-Ring.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 5082-, Year 2007
Publish dateJul 3, 2007 (structure data deposition date)
AuthorsNorman, B.H. / Richardson, T.I. / Dodge, J.A. / Pfeifer, L.A. / Durst, G.L. / Wang, Y. / Durbin, J.D. / Krishnan, V. / Dinn, S.R. / Liu, S. ...Norman, B.H. / Richardson, T.I. / Dodge, J.A. / Pfeifer, L.A. / Durst, G.L. / Wang, Y. / Durbin, J.D. / Krishnan, V. / Dinn, S.R. / Liu, S. / Reilly, J.E. / Ryter, K.T.
External linksBioorg. Med. Chem. Lett. / PubMed:17662603
MethodsX-ray diffraction
Resolution2.28 - 2.4 Å
Structure data

PDB-2jj3:
Estrogen receptor beta ligand binding domain in complex with a Benzopyran agonist
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-2qe4:
Estrogen receptor alpha ligand-binding domain in complex with a benzopyran agonist
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-JJ3:
(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-6-(METHOXYMETHYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / PHOSPHORYLATION / STEROID-BINDING / NUCLEAR RECEPTOR / TRANSCRIPTION REGULATION / ALTERNATIVE SPLICING / LIGAND BINDING DOMAIN / ZINC / NUCLEUS / RECEPTOR / ZINC-FINGER / DNA-BINDING / METAL-BINDING / LIPID-BINDING / ligand-binding domain / Nuclear protein / Polymorphism

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