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5m96

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Current revision (18:32, 1 November 2023) (edit) (undo)
 
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==Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists==
==Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists==
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<StructureSection load='5m96' size='340' side='right' caption='[[5m96]], [[Resolution|resolution]] 1.77&Aring;' scene=''>
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<StructureSection load='5m96' size='340' side='right'caption='[[5m96]], [[Resolution|resolution]] 1.77&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5m96]] 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=5M96 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5M96 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5m96]] 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=5M96 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5M96 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=Q6Y:~{N}-[8-[[(3~{S})-4-CYCLOPENTYLCARBONYL-3-METHYL-PIPERAZIN-1-YL]METHYL]-7-METHYL-IMIDAZO[1,2-A]PYRIDIN-6-YL]-2-METHYL-PYRIMIDINE-5-CARBOXAMIDE'>Q6Y</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]] 1.77&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">RORC, NR1F3, RORG, RZRG ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=Q6Y:~{N}-[8-[[(3~{S})-4-CYCLOPENTYLCARBONYL-3-METHYL-PIPERAZIN-1-YL]METHYL]-7-METHYL-IMIDAZO[1,2-A]PYRIDIN-6-YL]-2-METHYL-PYRIMIDINE-5-CARBOXAMIDE'>Q6Y</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=5m96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5m96 OCA], [http://pdbe.org/5m96 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5m96 RCSB], [http://www.ebi.ac.uk/pdbsum/5m96 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5m96 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=5m96 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5m96 OCA], [https://pdbe.org/5m96 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5m96 RCSB], [https://www.ebi.ac.uk/pdbsum/5m96 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5m96 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.
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Human]]
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[[Category: Homo sapiens]]
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[[Category: Kallen, J]]
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[[Category: Large Structures]]
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[[Category: Inverse agonist]]
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[[Category: Kallen J]]
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[[Category: Ligand-binding domain]]
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[[Category: Nuclear hormone receptor]]
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[[Category: Transcription]]
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Current revision

Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists

PDB ID 5m96

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