This old version of Proteopedia is provided for student assignments while the new version is undergoing repairs. Content and edits done in this old version of Proteopedia after March 1, 2026 will eventually be lost when it is retired in about June of 2026.

Apply for new accounts at the new Proteopedia. Your logins will work in both the old and new versions.


1u3s

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
[[Image:1u3s.gif|left|200px]]
[[Image:1u3s.gif|left|200px]]
-
{{Structure
+
<!--
-
|PDB= 1u3s |SIZE=350|CAPTION= <scene name='initialview01'>1u3s</scene>, resolution 2.50&Aring;
+
The line below this paragraph, containing "STRUCTURE_1u3s", creates the "Structure Box" on the page.
-
|SITE=
+
You may change the PDB parameter (which sets the PDB file loaded into the applet)
-
|LIGAND= <scene name='pdbligand=797:3-(6-HYDROXY-NAPHTHALEN-2-YL)-BENZO[D]ISOOXAZOL-6-OL'>797</scene>
+
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-
|ACTIVITY=
+
or leave the SCENE parameter empty for the default display.
-
|GENE= ESR2, NR3A2, ESTRB ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+
-->
-
|DOMAIN=
+
{{STRUCTURE_1u3s| PDB=1u3s | SCENE= }}
-
|RELATEDENTRY=[[1u3q|1U3Q]], [[1u3r|1U3R]]
+
-
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1u3s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1u3s OCA], [http://www.ebi.ac.uk/pdbsum/1u3s PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1u3s RCSB]</span>
+
-
}}
+
'''Crystal Structure of Estrogen Receptor beta complexed with WAY-797'''
'''Crystal Structure of Estrogen Receptor beta complexed with WAY-797'''
Line 36: Line 33:
[[Category: Miller, C P.]]
[[Category: Miller, C P.]]
[[Category: Xu, Z B.]]
[[Category: Xu, Z B.]]
-
[[Category: agonist]]
+
[[Category: Agonist]]
-
[[Category: er]]
+
[[Category: Er]]
-
[[Category: er-beta]]
+
[[Category: Er-beta]]
-
[[Category: estrogen]]
+
[[Category: Estrogen]]
-
[[Category: estrogen receptor]]
+
[[Category: Estrogen receptor]]
-
[[Category: estrogen receptor beta]]
+
[[Category: Estrogen receptor beta]]
-
[[Category: nuclear receptor]]
+
[[Category: Nuclear receptor]]
-
[[Category: transcription factor]]
+
[[Category: Transcription factor]]
-
 
+
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 10:43:40 2008''
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:05:01 2008''
+

Revision as of 07:43, 3 May 2008

Image:1u3s.gif

Template:STRUCTURE 1u3s

Crystal Structure of Estrogen Receptor beta complexed with WAY-797


Overview

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 >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) --> 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 >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.

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 Sat May 3 10:43:40 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1u3s"
Personal tools