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1u3s

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[[Image:1u3s.gif|left|200px]]
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{{STRUCTURE_1u3s| PDB=1u3s | SCENE= }}
{{STRUCTURE_1u3s| PDB=1u3s | SCENE= }}
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'''Crystal Structure of Estrogen Receptor beta complexed with WAY-797'''
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===Crystal Structure of Estrogen Receptor beta complexed with WAY-797===
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==Overview==
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New diphenolic azoles as highly selective estrogen receptor-beta agonists are reported. The more potent and selective analogues of these series have comparable binding affinities for ERbeta as the natural ligand 17beta-estradiol but are &gt;100-fold selective over ERalpha. Our design strategy not only followed a traditional SAR approach but also was supported by X-ray structures of ERbeta cocrystallized with various ligands as well as molecular modeling studies. These strategies enabled us to take advantage of a single conservative residue substitution in the ligand-binding pocket, ERalpha Met(421) --&gt; ERbeta Ile(373), to optimize ERbeta selectivity. The 7-position-substituted benzoxazoles (Table 5) were the most selective ligands of both azole series, with ERB-041 (117) being &gt;200-fold selective for ERbeta. The majority of ERbeta selective agonists tested that were at least approximately 50-fold selective displayed a consistent in vivo profile: they were inactive in several models of classic estrogen action (uterotrophic, osteopenia, and vasomotor instability models) and yet were active in the HLA-B27 transgenic rat model of inflammatory bowel disease. These data suggest that ERbeta-selective agonists are devoid of classic estrogenic effects and may offer a novel therapy to treat certain inflammatory conditions.
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(as it appears on PubMed at http://www.pubmed.gov), where 15456246 is the PubMed ID number.
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{{ABSTRACT_PUBMED_15456246}}
==About this Structure==
==About this Structure==
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[[Category: Nuclear receptor]]
[[Category: Nuclear receptor]]
[[Category: Transcription factor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 10:43:40 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 14:47:57 2008''

Revision as of 11:47, 28 July 2008

Image:1u3s.png

Template:STRUCTURE 1u3s

Crystal Structure of Estrogen Receptor beta complexed with WAY-797

Template:ABSTRACT PUBMED 15456246

About this Structure

1U3S is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands., Malamas MS, Manas ES, McDevitt RE, Gunawan I, Xu ZB, Collini MD, Miller CP, Dinh T, Henderson RA, Keith JC Jr, Harris HA, J Med Chem. 2004 Oct 7;47(21):5021-40. PMID:15456246

Page seeded by OCA on Mon Jul 28 14:47:57 2008

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