9vzq: Difference between revisions

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'''Unreleased structure'''


The entry 9vzq is ON HOLD  until Paper Publication
==Crystal structure of RORgamma in complex with novel inverse agonist==
<StructureSection load='9vzq' size='340' side='right'caption='[[9vzq]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[9vzq]] is a 2 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=9VZQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=9VZQ 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]] 2.18&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=YUV:(1~{S},2~{S},4~{S},5~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2-oxane]-16-ol'>YUV</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=9vzq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=9vzq OCA], [https://pdbe.org/9vzq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=9vzq RCSB], [https://www.ebi.ac.uk/pdbsum/9vzq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=9vzq 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 ==
Retinoic acid receptor-related orphan receptor gamma (RORgamma) is a member of the nuclear receptor superfamily involved in many physiological activities such as metabolic and autoimmune diseases, and therefore a potential therapeutic drug target. Here we report that the steroidal sapogenin, diosgenin, a novel ligand for RORgamma, inhibits the transcriptional activity of the RORgamma with distinctive properties in coregulator recruitment. Biochemical and cell-based studies indicated that diosgenin functions as a selective RORgamma inverse agonist by inducing both coactivator and corepressor binding to RORgamma, thereby uncovering a molecular mechanism for the actions of this natural compound. Further, the crystal structure of diosgenin complexed with the ligand-binding domain of RORgamma reveals a unique binding mode including the active conformation of AF-2 helix and the conformational shift of Helix 11. Structural and functional studies suggest the plasticity of RORgamma pockets in recognizing ligands and the vital roles of the backbone of diosgenin in recognizing RORgamma. Our results provide a unique inverse agonist template of RORgamma with high selectivity and efficacy, which contributes to further drug design and optimization targeting RORgamma.


Authors: Chen, S.M., Tian, S.Y., Li, Y.
Structural basis for diosgenin as an inverse agonist of retinoic acid receptor-related orphan receptor gamma.,Chen S, Tian S, Liang J, Wang R, Li Y Sci Rep. 2026 Jan 6;16(1):4765. doi: 10.1038/s41598-026-35006-6. PMID:41495387<ref>PMID:41495387</ref>


Description: Crystal structure of RORgamma in complex with novel inverse agonist
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Li, Y]]
<div class="pdbe-citations 9vzq" style="background-color:#fffaf0;"></div>
[[Category: Chen, S.M]]
== References ==
[[Category: Tian, S.Y]]
<references/>
__TOC__
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Large Structures]]
[[Category: Chen SM]]
[[Category: Li Y]]
[[Category: Tian SY]]
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