7bo6
From Proteopedia
(Difference between revisions)
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| - | ==== | + | ==VDR complex with LCA derivative== |
| - | <StructureSection load='7bo6' size='340' side='right'caption='[[7bo6]]' scene=''> | + | <StructureSection load='7bo6' size='340' side='right'caption='[[7bo6]], [[Resolution|resolution]] 2.86Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id= OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol= FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[7bo6]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Danio_rerio Danio rerio] and [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7BO6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7BO6 FirstGlance]. <br> |
| - | </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=7bo6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7bo6 OCA], [https://pdbe.org/7bo6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7bo6 RCSB], [https://www.ebi.ac.uk/pdbsum/7bo6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7bo6 ProSAT]</span></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]] 2.86Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FKC:(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic+acid'>FKC</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=7bo6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7bo6 OCA], [https://pdbe.org/7bo6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7bo6 RCSB], [https://www.ebi.ac.uk/pdbsum/7bo6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7bo6 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/VDRA_DANRE VDRA_DANRE] Nuclear hormone receptor. Transcription factor that mediates the action of vitamin D3 by controlling the expression of hormone sensitive genes. Regulates transcription of hormone sensitive genes via its association with the WINAC complex, a chromatin-remodeling complex. Plays a central role in calcium homeostasis.<ref>PMID:17218092</ref> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The hypercalcemic effects of the hormone 1alpha,25-dihydroxyvitamin D(3) (calcitriol) and most of known vitamin D metabolites and analogs call for the development of non secosteroidal vitamin D receptor (VDR) ligands as new selective and noncalcemic agonists for treatment of hyperproliferative diseases. We report on the in silico design and stereoselective synthesis of six lithocholic acid derivatives as well as on the calcemic activity of a potent LCA derivative and its crystallographic structure in complex with zVDR LBD. The low calcemic activity of this compound in comparison with the native hormone makes it of potential therapeutic value. Structure-function relationships provide the basis for the development of even more potent and selective lithocholic acid-based VDR ligands. | ||
| + | |||
| + | Lithocholic acid-based design of noncalcemic vitamin D receptor agonists.,Gaikwad S, Gonzalez CM, Vilarino D, Lasanta G, Villaverde C, Mourino A, Verlinden L, Verstuyf A, Peluso-Iltis C, Rochel N, Berkowska K, Marcinkowska E Bioorg Chem. 2021 Jun;111:104878. doi: 10.1016/j.bioorg.2021.104878. Epub 2021 , Mar 30. PMID:33853023<ref>PMID:33853023</ref> | ||
| + | |||
| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 7bo6" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Danio rerio]] | ||
| + | [[Category: Homo sapiens]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
| - | [[Category: | + | [[Category: Rochel N]] |
Current revision
VDR complex with LCA derivative
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