4wlb: Difference between revisions

From Proteopedia
Jump to navigationJump to search
← Older edit
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
No edit summary
OCA (talk | contribs)
Bots, Bureaucrats, journal, Administrators
3,331,613 edits
No edit summary
 
(5 intermediate revisions by the same user not shown)
Line 1: Line 1:
==Crystal structure of RORc in complex with a partial inverse agonist compound==
==Crystal structure of RORc in complex with a partial inverse agonist compound==
<StructureSection load='4wlb' size='340' side='right' caption='[[4wlb]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
<StructureSection load='4wlb' size='340' side='right'caption='[[4wlb]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4wlb]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WLB OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WLB FirstGlance]. <br>
<table><tr><td colspan='2'>[[4wlb]] 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=4WLB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WLB FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3QQ:N-(4-FLUOROBENZYL)-N-(2-METHYLPROPYL)-6-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIDINE-3-SULFONAMIDE'>3QQ</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.702&#8491;</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=4wlb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wlb OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wlb RCSB], [http://www.ebi.ac.uk/pdbsum/4wlb PDBsum]</span></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3QQ:N-(4-FLUOROBENZYL)-N-(2-METHYLPROPYL)-6-{[1-(METHYLSULFONYL)PIPERIDIN-4-YL]AMINO}PYRIDINE-3-SULFONAMIDE'>3QQ</scene>, <scene name='pdbligand=TLA:L(+)-TARTARIC+ACID'>TLA</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=4wlb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wlb OCA], [https://pdbe.org/4wlb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wlb RCSB], [https://www.ebi.ac.uk/pdbsum/4wlb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wlb ProSAT]</span></td></tr>
</table>
</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 identification of a new series of RORc inverse agonists is described. Comprehensive structure-activity relationship studies of this reversed sulfonamide series identified potent RORc inverse agonists in biochemical and cellular assays which were also selective against a panel of nuclear receptors. Our work has contributed a compound that may serve as a useful in vitro tool to delineate the complex biological pathways involved in signalling through RORc. An X-ray co-crystal structure of an analogue with RORc has also provided useful insights into the binding interactions of the new series.
A reversed sulfonamide series of selective RORc inverse agonists.,van Niel MB, Fauber BP, Cartwright M, Gaines S, Killen JC, Rene O, Ward SI, de Leon Boenig G, Deng Y, Eidenschenk C, Everett C, Gancia E, Ganguli A, Gobbi A, Hawkins J, Johnson AR, Kiefer JR, La H, Lockey P, Norman M, Ouyang W, Qin A, Wakes N, Waszkowycz B, Wong H Bioorg Med Chem Lett. 2014 Dec 15;24(24):5769-76. doi:, 10.1016/j.bmcl.2014.10.037. Epub 2014 Oct 25. PMID:25453817<ref>PMID:25453817</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4wlb" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Boenig, G]]
[[Category: Homo sapiens]]
[[Category: Hymowitz, S G]]
[[Category: Large Structures]]
[[Category: Kiefer, J R]]
[[Category: Boenig G]]
[[Category: Nuclear receptor ligand binding domain]]
[[Category: Hymowitz SG]]
[[Category: Transcription]]
[[Category: Kiefer JR]]
Retrieved from "https://proteopedia.org/4wlb"