2nv7
Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555
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OverviewOverview
A series of 4'-hydroxyphenyl-aryl-carbaldehyde oximes (5b) was prepared, and found to have high affinity (4nM) and modest selectivity (39-fold) for, estrogen receptor-beta (ERbeta). Substitution of one of the core rings of, the scaffold based around these novel ligands further expanded our, knowledge in the quest toward achieving high affinity and selectivity for, ERbeta. An X-ray co-crystal of structure 11 revealed that the oxime moiety, was mimicking the C-ring of genistein, as previously predicted by SAR and, docking studies.
About this StructureAbout this Structure
2NV7 is a Protein complex structure of sequences from Homo sapiens with as ligand. Active as Histone acetyltransferase, with EC number 2.3.1.48 Full crystallographic information is available from OCA.
ReferenceReference
ERbeta ligands. Part 5: synthesis and structure-activity relationships of a series of 4'-hydroxyphenyl-aryl-carbaldehyde oxime derivatives., Mewshaw RE, Bowen SM, Harris HA, Xu ZB, Manas ES, Cohn ST, Bioorg Med Chem Lett. 2007 Feb 15;17(4):902-6. Epub 2006 Dec 1. PMID:17188490
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