3tkc - Revision history

OCA at 13:31, 14 March 2024

2024-03-14T13:31:47Z

← Older revision		Revision as of 13:31, 14 March 2024
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	<StructureSection load='3tkc' size='340' side='right'caption='[[3tkc]], [[Resolution\|resolution]] 1.75Å' scene=''>		<StructureSection load='3tkc' size='340' side='right'caption='[[3tkc]], [[Resolution\|resolution]] 1.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3tkc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TKC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TKC FirstGlance]. <br>		<table><tr><td colspan='2'>[[3tkc]] is a 1 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=3TKC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TKC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMV:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL'>FMV</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.75Å</td></tr>
	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3a3z\|3a3z]], [[3a40\|3a40]]</div></td></tr>~~		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMV:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL'>FMV</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">VDR, NR1I1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=3tkc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tkc OCA], [https://pdbe.org/3tkc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tkc RCSB], [https://www.ebi.ac.uk/pdbsum/3tkc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tkc ProSAT]</span></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=3tkc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tkc OCA], [https://pdbe.org/3tkc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tkc RCSB], [https://www.ebi.ac.uk/pdbsum/3tkc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tkc ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
	[[https://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] Defects in VDR are the cause of rickets vitamin D-dependent type 2A (VDDR2A) [MIM:[https://omim.org/entry/277440 277440]]. A disorder of vitamin D metabolism resulting in severe rickets, hypocalcemia and secondary hyperparathyroidism. Most patients have total alopecia in addition to rickets.<ref>PMID:2849209</ref> <ref>PMID:8381803</ref> <ref>PMID:1652893</ref> <ref>PMID:2177843</ref> <ref>PMID:8106618</ref> <ref>PMID:8392085</ref> <ref>PMID:7828346</ref> <ref>PMID:8675579</ref> <ref>PMID:8961271</ref> <ref>PMID:9005998</ref>		[https://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN] Defects in VDR are the cause of rickets vitamin D-dependent type 2A (VDDR2A) [MIM:[https://omim.org/entry/277440 277440]. A disorder of vitamin D metabolism resulting in severe rickets, hypocalcemia and secondary hyperparathyroidism. Most patients have total alopecia in addition to rickets.<ref>PMID:2849209</ref> <ref>PMID:8381803</ref> <ref>PMID:1652893</ref> <ref>PMID:2177843</ref> <ref>PMID:8106618</ref> <ref>PMID:8392085</ref> <ref>PMID:7828346</ref> <ref>PMID:8675579</ref> <ref>PMID:8961271</ref> <ref>PMID:9005998</ref>
	== Function ==		== Function ==
	[[https://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] 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. Recruited to promoters via its interaction with the WINAC complex subunit BAZ1B/WSTF, which mediates the interaction with acetylated histones, an essential step for VDR-promoter association. Plays a central role in calcium homeostasis.<ref>PMID:16252006</ref> <ref>PMID:10678179</ref> <ref>PMID:15728261</ref> <ref>PMID:16913708</ref>		[https://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN] 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. Recruited to promoters via its interaction with the WINAC complex subunit BAZ1B/WSTF, which mediates the interaction with acetylated histones, an essential step for VDR-promoter association. Plays a central role in calcium homeostasis.<ref>PMID:16252006</ref> <ref>PMID:10678179</ref> <ref>PMID:15728261</ref> <ref>PMID:16913708</ref>
	~~<div style="background-color:#fffaf0;">~~
	~~== Publication Abstract from PubMed ==~~
	Based on the crystal structures of human vitamin D receptor (hVDR) bound to 1alpha,25-dihydroxy-vitamin D(3) (1,25 D) and superagonist ligands, we previously designed new superagonist ligands with a tetrahydrofuran ring at the side chain that optimize the aliphatic side-chain conformation through an entropy benefit. Following a similar strategy, four novel vitamin D analogues with aromatic furan side chains (3a, 3b, 4a, 4b) have now been developed. The triene system has been constructed by an efficient stereoselective intramolecular cyclization of an enol triflate (A-ring precursor) followed by a Suzuki-Miyaura coupling of the resulting intermediate with an alkenyl boronic ester (CD-side chain, upper fragment). The furan side chains have been constructed by gold chemistry. These analogues exhibit significant pro-differentiation effects and transactivation potency. The crystal structure of 3a in a complex with the ligand-binding domain of hVDR revealed that the side-chain furanic ring adopts two conformations.

	Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains.,Fraga R, Zacconi F, Sussman F, Ordonez-Moran P, Munoz A, Huet T, Molnar F, Moras D, Rochel N, Maestro M, Mourino A Chemistry. 2012 Jan 9;18(2):603-12. doi: 10.1002/chem.201102695. Epub 2011 Dec 8. PMID:22162241<ref>PMID:22162241</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 3tkc" style="background-color:#fffaf0;"></div~~>

	==See Also==		==See Also==
Line 30:		Line 20:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Human~~]]		[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Huet, T]]		[[Category: Huet T]]
	[[Category: Moras, D]]		[[Category: Moras D]]
	[[Category: Rochel, N]]		[[Category: Rochel N]]
	~~[[Category: Alpha-helical sandwich]]~~
	~~[[Category: Calcitriol]]~~
	~~[[Category: Nucleus]]~~
	~~[[Category: Phosphorylation]]~~
	~~[[Category: Transcription~~]]

OCA at 17:02, 6 July 2022

2022-07-06T17:02:00Z

← Older revision		Revision as of 17:02, 6 July 2022
Line 1:		Line 1:

	==Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains==		==Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains==
	<StructureSection load='3tkc' size='340' side='right' caption='[[3tkc]], [[Resolution\|resolution]] 1.75Å' scene=''>		<StructureSection load='3tkc' size='340' side='right'caption='[[3tkc]], [[Resolution\|resolution]] 1.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3tkc]] is a 1 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=3TKC OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3TKC FirstGlance]. <br>		<table><tr><td colspan='2'>[[3tkc]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TKC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3TKC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMV:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL'>FMV</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FMV:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL'>FMV</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3a3z\|3a3z]], [[3a40\|3a40]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3a3z\|3a3z]], [[3a40\|3a40]]</div></td></tr>
	<tr id='gene'><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=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">VDR, NR1I1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=3tkc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tkc OCA], [~~http~~://pdbe.org/3tkc PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3tkc RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3tkc PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3tkc ProSAT]</span></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=3tkc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tkc OCA], [https://pdbe.org/3tkc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3tkc RCSB], [https://www.ebi.ac.uk/pdbsum/3tkc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3tkc ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
	[[~~http~~://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] Defects in VDR are the cause of rickets vitamin D-dependent type 2A (VDDR2A) [MIM:[~~http~~://omim.org/entry/277440 277440]]. A disorder of vitamin D metabolism resulting in severe rickets, hypocalcemia and secondary hyperparathyroidism. Most patients have total alopecia in addition to rickets.<ref>PMID:2849209</ref> <ref>PMID:8381803</ref> <ref>PMID:1652893</ref> <ref>PMID:2177843</ref> <ref>PMID:8106618</ref> <ref>PMID:8392085</ref> <ref>PMID:7828346</ref> <ref>PMID:8675579</ref> <ref>PMID:8961271</ref> <ref>PMID:9005998</ref>		[[https://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] Defects in VDR are the cause of rickets vitamin D-dependent type 2A (VDDR2A) [MIM:[https://omim.org/entry/277440 277440]]. A disorder of vitamin D metabolism resulting in severe rickets, hypocalcemia and secondary hyperparathyroidism. Most patients have total alopecia in addition to rickets.<ref>PMID:2849209</ref> <ref>PMID:8381803</ref> <ref>PMID:1652893</ref> <ref>PMID:2177843</ref> <ref>PMID:8106618</ref> <ref>PMID:8392085</ref> <ref>PMID:7828346</ref> <ref>PMID:8675579</ref> <ref>PMID:8961271</ref> <ref>PMID:9005998</ref>
	== Function ==		== Function ==
	[[~~http~~://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] 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. Recruited to promoters via its interaction with the WINAC complex subunit BAZ1B/WSTF, which mediates the interaction with acetylated histones, an essential step for VDR-promoter association. Plays a central role in calcium homeostasis.<ref>PMID:16252006</ref> <ref>PMID:10678179</ref> <ref>PMID:15728261</ref> <ref>PMID:16913708</ref>		[[https://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] 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. Recruited to promoters via its interaction with the WINAC complex subunit BAZ1B/WSTF, which mediates the interaction with acetylated histones, an essential step for VDR-promoter association. Plays a central role in calcium homeostasis.<ref>PMID:16252006</ref> <ref>PMID:10678179</ref> <ref>PMID:15728261</ref> <ref>PMID:16913708</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 25:		Line 25:
	==See Also==		==See Also==
	*[[Sandbox vdr\|Sandbox vdr]]		*[[Sandbox vdr\|Sandbox vdr]]
	*[[Vitamin D receptor\|Vitamin D receptor]]		*[[Vitamin D receptor 3D structures\|Vitamin D receptor 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 31:		Line 31:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
			[[Category: Large Structures]]
	[[Category: Huet, T]]		[[Category: Huet, T]]
	[[Category: Moras, D]]		[[Category: Moras, D]]

OCA at 15:15, 11 August 2016

2016-08-11T15:15:12Z

← Older revision		Revision as of 15:15, 11 August 2016
Line 1:		Line 1:

	==Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains==		==Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains==
	<StructureSection load='3tkc' size='340' side='right' caption='[[3tkc]], [[Resolution\|resolution]] 1.75Å' scene=''>		<StructureSection load='3tkc' size='340' side='right' caption='[[3tkc]], [[Resolution\|resolution]] 1.75Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3tkc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TKC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TKC FirstGlance]. <br>		<table><tr><td colspan='2'>[[3tkc]] is a 1 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=3TKC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TKC FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMV:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL'>FMV</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMV:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL'>FMV</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3a3z\|3a3z]], [[3a40\|3a40]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3a3z\|3a3z]], [[3a40\|3a40]]</td></tr>
	<tr id='gene'><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=9606 ~~Homo sapiens~~])</td></tr>		<tr id='gene'><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=9606 HUMAN])</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=3tkc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tkc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tkc RCSB], [http://www.ebi.ac.uk/pdbsum/3tkc PDBsum]</span></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=3tkc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tkc OCA], [http://pdbe.org/3tkc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3tkc RCSB], [http://www.ebi.ac.uk/pdbsum/3tkc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3tkc ProSAT]</span></td></tr>
	</table>		</table>
	== Disease ==		== Disease ==
Line 20:		Line 21:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
			<div class="pdbe-citations 3tkc" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 28:		Line 30:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Homo sapiens~~]]		[[Category: Human]]
	[[Category: Huet, T]]		[[Category: Huet, T]]
	[[Category: Moras, D]]		[[Category: Moras, D]]

OCA at 09:41, 25 January 2015

2015-01-25T09:41:41Z

← Older revision		Revision as of 09:41, 25 January 2015
Line 1:		Line 1:
	~~{{STRUCTURE_3tkc\| PDB=3tkc \| SCENE= }}~~		==Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains==
	===Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains===		<StructureSection load='3tkc' size='340' side='right' caption='[[3tkc]], [[Resolution\|resolution]] 1.75Å' scene=''>
	~~{{ABSTRACT_PUBMED_22162241}}~~		== Structural highlights ==
			<table><tr><td colspan='2'>[[3tkc]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TKC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3TKC FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMV:(1S,3R,5Z,7E,14BETA,17ALPHA,20S)-20-[5-(1-HYDROXY-1-METHYLETHYL)FURAN-2-YL]-9,10-SECOPREGNA-5,7,10-TRIENE-1,3-DIOL'>FMV</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
			<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3a3z\|3a3z]], [[3a40\|3a40]]</td></tr>
			<tr id='gene'><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=9606 Homo sapiens])</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=3tkc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3tkc OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3tkc RCSB], [http://www.ebi.ac.uk/pdbsum/3tkc PDBsum]</span></td></tr>
			</table>
			== Disease ==
			[[http://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] Defects in VDR are the cause of rickets vitamin D-dependent type 2A (VDDR2A) [MIM:[http://omim.org/entry/277440 277440]]. A disorder of vitamin D metabolism resulting in severe rickets, hypocalcemia and secondary hyperparathyroidism. Most patients have total alopecia in addition to rickets.<ref>PMID:2849209</ref> <ref>PMID:8381803</ref> <ref>PMID:1652893</ref> <ref>PMID:2177843</ref> <ref>PMID:8106618</ref> <ref>PMID:8392085</ref> <ref>PMID:7828346</ref> <ref>PMID:8675579</ref> <ref>PMID:8961271</ref> <ref>PMID:9005998</ref>
			== Function ==
			[[http://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] 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. Recruited to promoters via its interaction with the WINAC complex subunit BAZ1B/WSTF, which mediates the interaction with acetylated histones, an essential step for VDR-promoter association. Plays a central role in calcium homeostasis.<ref>PMID:16252006</ref> <ref>PMID:10678179</ref> <ref>PMID:15728261</ref> <ref>PMID:16913708</ref>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Based on the crystal structures of human vitamin D receptor (hVDR) bound to 1alpha,25-dihydroxy-vitamin D(3) (1,25 D) and superagonist ligands, we previously designed new superagonist ligands with a tetrahydrofuran ring at the side chain that optimize the aliphatic side-chain conformation through an entropy benefit. Following a similar strategy, four novel vitamin D analogues with aromatic furan side chains (3a, 3b, 4a, 4b) have now been developed. The triene system has been constructed by an efficient stereoselective intramolecular cyclization of an enol triflate (A-ring precursor) followed by a Suzuki-Miyaura coupling of the resulting intermediate with an alkenyl boronic ester (CD-side chain, upper fragment). The furan side chains have been constructed by gold chemistry. These analogues exhibit significant pro-differentiation effects and transactivation potency. The crystal structure of 3a in a complex with the ligand-binding domain of hVDR revealed that the side-chain furanic ring adopts two conformations.

	~~==Disease==~~		Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains.,Fraga R, Zacconi F, Sussman F, Ordonez-Moran P, Munoz A, Huet T, Molnar F, Moras D, Rochel N, Maestro M, Mourino A Chemistry. 2012 Jan 9;18(2):603-12. doi: 10.1002/chem.201102695. Epub 2011 Dec 8. PMID:22162241<ref>PMID:22162241</ref>
	~~[[http://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] Defects in VDR are the cause~~ of ~~rickets~~ vitamin D-~~dependent type 2A~~ (~~VDDR2A~~) ~~[MIM~~:~~[http~~:~~//omim~~.~~org/entry~~/~~277440 277440]]~~. ~~A disorder of vitamin D metabolism resulting in severe rickets, hypocalcemia and secondary hyperparathyroidism~~. ~~Most patients have total alopecia in addition to rickets~~.~~<ref>~~PMID:~~2849209</ref><ref>PMID:8381803</ref><ref>PMID:1652893</ref><ref>PMID:2177843</ref><ref>PMID:8106618</ref><ref>PMID:8392085</ref><ref>PMID:7828346</ref><ref>PMID:8675579</ref><ref>PMID:8961271</ref>~~<ref>PMID:~~9005998~~</ref>

	~~==Function==~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	~~[[http:~~/~~/www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] 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. Recruited to promoters via its interaction with the WINAC complex subunit BAZ1B/WSTF, which mediates the interaction with acetylated histones, an essential step for VDR-promoter association. Plays a central role in calcium homeostasis.<~~ref~~>~~PMID:16252006</ref><ref>PMID:10678179</ref><ref>PMID:15728261</ref><ref>PMID:16913708~~</~~ref~~>		</div>

	==~~About this Structure~~==		==See Also==
	[[~~3tkc~~]] ~~is a 1 chain structure with sequence from~~ [~~http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens~~]~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3TKC OCA~~].		*[[Sandbox vdr\|Sandbox vdr]]
			*[[Vitamin D receptor\|Vitamin D receptor]]
	==~~Reference~~==		== References ==
	~~<ref group="xtra">PMID:022162241</ref>~~<references ~~group="xtra"~~/><~~references~~/>		<references/>
			__TOC__
			</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Huet, T.]]		[[Category: Huet, T]]
	[[Category: Moras, D.]]		[[Category: Moras, D]]
	[[Category: Rochel, N.]]		[[Category: Rochel, N]]
	[[Category: Alpha-helical sandwich]]		[[Category: Alpha-helical sandwich]]
	[[Category: Calcitriol]]		[[Category: Calcitriol]]

OCA at 00:06, 25 March 2013

2013-03-25T00:06:41Z

← Older revision		Revision as of 00:06, 25 March 2013
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	~~[[Image:3tkc.jpg\|left\|200px]]~~

	~~<!--~~
	~~The line below this paragraph, containing "STRUCTURE_3tkc", creates the "Structure Box" on the page.~~
	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~
	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~
	~~or leave the SCENE parameter empty for the default display.~~
	~~-->~~
	{{STRUCTURE_3tkc\| PDB=3tkc \| SCENE= }}		{{STRUCTURE_3tkc\| PDB=3tkc \| SCENE= }}

	===Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains===		===Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains===
			{{ABSTRACT_PUBMED_22162241}}

			==Disease==
			[[http://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] Defects in VDR are the cause of rickets vitamin D-dependent type 2A (VDDR2A) [MIM:[http://omim.org/entry/277440 277440]]. A disorder of vitamin D metabolism resulting in severe rickets, hypocalcemia and secondary hyperparathyroidism. Most patients have total alopecia in addition to rickets.<ref>PMID:2849209</ref><ref>PMID:8381803</ref><ref>PMID:1652893</ref><ref>PMID:2177843</ref><ref>PMID:8106618</ref><ref>PMID:8392085</ref><ref>PMID:7828346</ref><ref>PMID:8675579</ref><ref>PMID:8961271</ref><ref>PMID:9005998</ref>

	~~<!--~~		==Function==
	~~The line below this paragraph, {{ABSTRACT_PUBMED_22162241}}, adds the Publication Abstract to the page~~		[[http://www.uniprot.org/uniprot/VDR_HUMAN VDR_HUMAN]] 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. Recruited to promoters via its interaction with the WINAC complex subunit BAZ1B/WSTF, which mediates the interaction with acetylated histones, an essential step for VDR-promoter association. Plays a central role in calcium homeostasis.<ref>PMID:16252006</ref><ref>PMID:10678179</ref><ref>PMID:15728261</ref><ref>PMID:16913708</ref>
	~~(as it appears on PubMed at~~ http://www.~~pubmed~~.~~gov), where 22162241 is~~ the ~~PubMed ID number~~.
	-->
	~~{{ABSTRACT_PUBMED_22162241}}~~

	==About this Structure==		==About this Structure==
Line 22:		Line 13:

	==Reference==		==Reference==
	<ref group="xtra">PMID:022162241</ref><references group="xtra"/>		<ref group="xtra">PMID:022162241</ref><references group="xtra"/><references/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Huet, T.]]		[[Category: Huet, T.]]

OCA at 05:43, 8 March 2012

2012-03-08T05:43:51Z

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+[[Image:3tkc.jpg|left|200px]]
-The entry 3tkc is ON HOLD  until Mar 07 2013
+<!--
-Authors: Huet, T., Moras, D., Rochel, N.
+===Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains===
-Description: Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains

OCA at 08:11, 29 February 2012

2012-02-29T08:11:39Z

← Older revision		Revision as of 08:11, 29 February 2012
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 3tkc is ON HOLD until ~~Feb 26~~ 2013		The entry 3tkc is ON HOLD until Mar 07 2013

	Authors: Huet, T., Moras, D., Rochel, N.		Authors: Huet, T., Moras, D., Rochel, N.

	Description: Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains		Description: Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains

OCA at 06:04, 14 September 2011

2011-09-14T06:04:44Z

← Older revision		Revision as of 06:04, 14 September 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 3tkc is ON HOLD		The entry 3tkc is ON HOLD until Feb 26 2013

	Authors: Huet, T., Moras, D., Rochel, N.		Authors: Huet, T., Moras, D., Rochel, N.

	Description: Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains		Description: Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains

OCA: Protected "3tkc" [edit=sysop:move=sysop]

2011-09-07T05:48:50Z

Protected "3tkc" [edit=sysop:move=sysop]

← Older revision	Revision as of 05:48, 7 September 2011
(No difference)

OCA: New page: '''Unreleased structure''' The entry 3tkc is ON HOLD Authors: Huet, T., Moras, D., Rochel, N. Description: Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan...

2011-09-07T05:48:49Z

New page: '''Unreleased structure''' The entry 3tkc is ON HOLD Authors: Huet, T., Moras, D., Rochel, N. Description: Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan...

New page

'''Unreleased structure'''

The entry 3tkc is ON HOLD

Authors: Huet, T., Moras, D., Rochel, N.

Description: Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains