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5ufr

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==Structure of RORgt bound to==
==Structure of RORgt bound to==
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<StructureSection load='5ufr' size='340' side='right' caption='[[5ufr]], [[Resolution|resolution]] 2.07&Aring;' scene=''>
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<StructureSection load='5ufr' size='340' side='right'caption='[[5ufr]], [[Resolution|resolution]] 2.07&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5ufr]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5UFR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5UFR FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5ufr]] 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=5UFR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5UFR FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=88J:(S)-[4-CHLORO-2-(DIMETHYLAMINO)-3-PHENYLQUINOLIN-6-YL](1-METHYL-1H-IMIDAZOL-5-YL)(PYRIDIN-4-YL)METHANOL'>88J</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.068&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5ufo|5ufo]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=88J:(S)-[4-CHLORO-2-(DIMETHYLAMINO)-3-PHENYLQUINOLIN-6-YL](1-METHYL-1H-IMIDAZOL-5-YL)(PYRIDIN-4-YL)METHANOL'>88J</scene></td></tr>
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<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=5ufr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufr OCA], [http://pdbe.org/5ufr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ufr RCSB], [http://www.ebi.ac.uk/pdbsum/5ufr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufr ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5ufr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ufr OCA], [https://pdbe.org/5ufr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ufr RCSB], [https://www.ebi.ac.uk/pdbsum/5ufr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ufr ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://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.
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[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.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A high-throughput screen of the ligand binding domain of the nuclear receptor retinoic acid-related orphan receptor gamma t (RORgammat) employing a thermal shift assay yielded a quinoline tertiary alcohol hit. Optimization of the 2-, 3- and 4-positions of the quinoline core using structure-activity relationships and structure-based drug design methods led to the discovery of a series of modulators with improved RORgammat inhibitory potency and inverse agonism properties.
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Identification and structure activity relationships of quinoline tertiary alcohol modulators of RORgammat.,Kummer DA, Cummings MD, Abad M, Barbay J, Castro G, Wolin R, Kreutter KD, Maharoof U, Milligan C, Nishimura R, Pierce J, Schalk-Hihi C, Spurlino J, Urbanski M, Venkatesan H, Wang A, Woods C, Xue X, Edwards JP, Fourie AM, Leonard K Bioorg Med Chem Lett. 2017 Feb 21. pii: S0960-894X(17)30163-4. doi:, 10.1016/j.bmcl.2017.02.044. PMID:28318945<ref>PMID:28318945</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 5ufr" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Abad, M]]
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[[Category: Homo sapiens]]
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[[Category: Spurlino, J]]
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[[Category: Large Structures]]
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[[Category: Nuclear hormone receptor]]
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[[Category: Abad M]]
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[[Category: Nuclear protein]]
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[[Category: Spurlino J]]

Current revision

Structure of RORgt bound to

PDB ID 5ufr

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