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3vru

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[[Image:3vru.jpg|left|200px]]
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==VDR ligand binding domain in complex with 2-Methylidene-19,24-dinor-1alpha,25-dihydroxy vitaminD3==
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<StructureSection load='3vru' size='340' side='right' caption='[[3vru]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3vru]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VRU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3VRU FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=YS3:(1R,3R,7E,17BETA)-17-[(2R)-5-HYDROXY-5-METHYLHEXAN-2-YL]-2-METHYLIDENE-9,10-SECOESTRA-5,7-DIENE-1,3-DIOL'>YS3</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3vrt|3vrt]], [[3vrv|3vrv]], [[3vrw|3vrw]]</td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Vdr, Nr1i1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])</td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3vru FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3vru OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3vru RCSB], [http://www.ebi.ac.uk/pdbsum/3vru PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Previously, we reported that 22S-butyl-25,26,27-trinor-1alpha,24-dihydroxyvitamin D(3)2 represents a new class of antagonist for the vitamin D receptor (VDR). The crystal structure of the ligand-binding domain (LBD) of VDR complexed with 2 showed the formation of a butyl pocket to accommodate the 22-butyl group and insufficient interactions between ligand 2 and the C-terminus of VDR. Here, we designed and synthesized new analogues 5a-c and evaluated their biological activities to probe whether agonistic activity is recovered when the analogue restores interactions with the C-terminus of VDR. Analogues 5a-c exhibited full agonistic activity in transactivation. Interestingly, 5c, which bears a 24-diethyl group, completely recovered agonistic activity, although 3c and 4c act as an antagonist and a weak agonist, respectively. The crystal structures of VDR-LBD complexed with 3a, 4a, 5a, and 5c were solved, and the results confirmed that butyl pocket formation in VDR strongly affects the agonistic or antagonistic behaviors of ligands.
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Butyl pocket formation in the vitamin d receptor strongly affects the agonistic or antagonistic behavior of ligands.,Yoshimoto N, Sakamaki Y, Haeta M, Kato A, Inaba Y, Itoh T, Nakabayashi M, Ito N, Yamamoto K J Med Chem. 2012 May 10;55(9):4373-81. Epub 2012 Apr 27. PMID:22512505<ref>PMID:22512505</ref>
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The line below this paragraph, containing "STRUCTURE_3vru", creates the "Structure Box" on the page.
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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{{STRUCTURE_3vru| PDB=3vru | SCENE= }}
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===VDR ligand binding domain in complex with 2-Methylidene-19,24-dinor-1alpha,25-dihydroxy vitaminD3===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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==See Also==
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<!--
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*[[Sandbox vdr|Sandbox vdr]]
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The line below this paragraph, {{ABSTRACT_PUBMED_22512505}}, adds the Publication Abstract to the page
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*[[Vitamin D receptor|Vitamin D receptor]]
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(as it appears on PubMed at http://www.pubmed.gov), where 22512505 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_22512505}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[3vru]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3VRU OCA].
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==Reference==
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<ref group="xtra">PMID:022512505</ref><references group="xtra"/>
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[[Category: Rattus norvegicus]]
[[Category: Rattus norvegicus]]
[[Category: Inaba, Y.]]
[[Category: Inaba, Y.]]

Revision as of 07:24, 5 June 2014

VDR ligand binding domain in complex with 2-Methylidene-19,24-dinor-1alpha,25-dihydroxy vitaminD3

3vru, resolution 2.00Å

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