View source for 4zom


==RORgamma in complex with inverse agonist 4j.==
<StructureSection load='4zom' size='340' side='right'caption='[[4zom]], [[Resolution|resolution]] 2.27&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4zom]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZOM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4ZOM FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.27&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4Q3:N-{4-[3-(ACETYLAMINO)-1-(PROPAN-2-YL)-1H-PYRAZOL-5-YL]-2-[(1R,5S)-3-AZABICYCLO[3.1.0]HEX-3-YL]PHENYL}-2-CHLORO-6-FLUORO-N-METHYLBENZAMIDE'>4Q3</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4zom FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4zom OCA], [https://pdbe.org/4zom PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4zom RCSB], [https://www.ebi.ac.uk/pdbsum/4zom PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4zom ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/RORG_HUMAN RORG_HUMAN] Possible nuclear receptor for hydroxycholesterols, the binding of which strongly promotes coactivators recruitment. Essential for thymopoiesis and the development of several secondary lymphoid tissues, including lymph nodes. Involved in lineage specification of uncommitted CD4(+) T-helper cells into Th17 cells. Regulate the expression of several components of the circadian clock.
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The nuclear receptor RORgamma plays a central role in controlling a pro-inflammatory gene expression program in several lymphocyte lineages including TH17 cells. RORgamma-dependent inflammation has been implicated in the pathogenesis of several major autoimmune diseases and thus RORgamma is an attractive target for therapeutic intervention in these diseases. Starting from a lead biaryl compound 4a, replacement of the head phenyl moiety with a substituted aminopyrazole group resulted in a series with improved physical properties. Further SAR exploration led to analogues (e.g., 4j and 5m) as potent RORgamma inverse agonists.

Discovery of novel pyrazole-containing benzamides as potent RORgamma inverse agonists.,Wang T, Banerjee D, Bohnert T, Chao J, Enyedy I, Fontenot J, Guertin K, Jones H, Lin EY, Marcotte D, Talreja T, Van Vloten K Bioorg Med Chem Lett. 2015 Aug 1;25(15):2985-90. doi: 10.1016/j.bmcl.2015.05.028., Epub 2015 May 22. PMID:26048789<ref>PMID:26048789</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4zom" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Marcotte DJ]]