4nb6
From Proteopedia
(Difference between revisions)
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| - | + | ==Crystal structure of the ligand binding domain of RORC with T0901317== | |
| - | + | <StructureSection load='4nb6' size='340' side='right' caption='[[4nb6]], [[Resolution|resolution]] 2.85Å' scene=''> | |
| - | { | + | == Structural highlights == |
| + | <table><tr><td colspan='2'>[[4nb6]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4NB6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4NB6 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=444:N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE'>444</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1pqc|1pqc]], [[1pq9|1pq9]], [[2o91|2o91]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NR1F3, RORC, RORG, RZRG ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4nb6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4nb6 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4nb6 RCSB], [http://www.ebi.ac.uk/pdbsum/4nb6 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The structure-activity relationships of T0901317 analogs were explored as RORc inverse agonists using the principles of property- and structure-based drug design. An X-ray co-crystal structure of T0901317 and RORc was obtained and provided molecular insight into why T0901317 functioned as an inverse agonist of RORc; whereas, the same ligand functioned as an agonist of FXR, LXR, and PXR. The structural data was also used to design inhibitors with improved RORc biochemical and cellular activities. The improved inhibitors possessed enhanced selectivity profiles (rationalized using the X-ray crystallographic data) against other nuclear receptors. | ||
| - | + | Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc.,Fauber BP, de Leon Boenig G, Burton B, Eidenschenk C, Everett C, Gobbi A, Hymowitz SG, Johnson AR, Liimatta M, Lockey P, Norman M, Ouyang W, Rene O, Wong H Bioorg Med Chem Lett. 2013 Dec 15;23(24):6604-9. doi: 10.1016/j.bmcl.2013.10.054., Epub 2013 Nov 4. PMID:24239186<ref>PMID:24239186</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| - | == | + | <references/> |
| - | + | __TOC__ | |
| + | </StructureSection> | ||
[[Category: Human]] | [[Category: Human]] | ||
| - | [[Category: Hymowitz, S G | + | [[Category: Hymowitz, S G]] |
| - | [[Category: Leon, G Boenig-de | + | [[Category: Leon, G Boenig-de]] |
[[Category: Alpha-helical]] | [[Category: Alpha-helical]] | ||
[[Category: Nucleus]] | [[Category: Nucleus]] | ||
[[Category: Transcription]] | [[Category: Transcription]] | ||
[[Category: Transcription factor]] | [[Category: Transcription factor]] | ||
Revision as of 18:54, 21 December 2014
Crystal structure of the ligand binding domain of RORC with T0901317
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