4wpf - Revision history

OCA at 00:54, 28 December 2023

2023-12-28T00:54:51Z

← Older revision		Revision as of 00:54, 28 December 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4wpf]] is a 4 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=4WPF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[4wpf]] is a 4 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=4WPF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WPF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE'>3SN</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]] 2.202Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE'>3SN</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=4wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wpf OCA], [https://pdbe.org/4wpf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wpf RCSB], [https://www.ebi.ac.uk/pdbsum/4wpf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wpf 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=4wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wpf OCA], [https://pdbe.org/4wpf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wpf RCSB], [https://www.ebi.ac.uk/pdbsum/4wpf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wpf ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:20, 7 April 2023

2023-04-07T07:20:03Z

← Older revision		Revision as of 07:20, 7 April 2023
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	<StructureSection load='4wpf' size='340' side='right'caption='[[4wpf]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4wpf' size='340' side='right'caption='[[4wpf]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4wpf]] is a 4 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=4WPF OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[4wpf]] is a 4 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=4WPF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4WPF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE'>3SN</scene>~~</td></tr>~~		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE'>3SN</scene></td></tr>
	<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>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wpf OCA], [https://pdbe.org/4wpf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4wpf RCSB], [https://www.ebi.ac.uk/pdbsum/4wpf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4wpf ProSAT]</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=4wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wpf OCA], [~~http~~://pdbe.org/4wpf PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4wpf RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4wpf PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4wpf ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[~~[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.		[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>
	[[Category: ~~Human~~]]		[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	~~[[Category: Boenig, G de Leon]]~~		[[Category: Hymowitz SG]]
	[[Category: Hymowitz~~, S G~~]]		[[Category: Kiefer JR]]
	[[Category: Kiefer~~, J R~~]]		[[Category: Wallweber HA]]
	[[Category: Wallweber~~, H A~~]]		[[Category: De Leon Boenig G]]
	[[Category: ~~Nuclear receptor]]~~
	~~[[Category: Ror]]~~
	~~[[Category: Rorc]]~~
	~~[[Category: Rorg]]~~
	~~[[Category: Transcription~~]]

OCA at 08:05, 23 May 2019

2019-05-23T08:05:55Z

← Older revision		Revision as of 08:05, 23 May 2019
Line 1:		Line 1:

	==Crystal structure of RORc in complex with a phenyl sulfonamide agonist==		==Crystal structure of RORc in complex with a phenyl sulfonamide agonist==
	<StructureSection load='4wpf' size='340' side='right' caption='[[4wpf]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4wpf' size='340' side='right'caption='[[4wpf]], [[Resolution\|resolution]] 2.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[4wpf]] is a 4 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=4WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WPF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE'>3SN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE'>3SN</scene></td></tr>
			<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>
	<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=4wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wpf OCA], [http://pdbe.org/4wpf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wpf RCSB], [http://www.ebi.ac.uk/pdbsum/4wpf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wpf ProSAT]</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=4wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wpf OCA], [http://pdbe.org/4wpf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wpf RCSB], [http://www.ebi.ac.uk/pdbsum/4wpf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wpf ProSAT]</span></td></tr>
	</table>		</table>
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Human]]
			[[Category: Large Structures]]
	[[Category: Boenig, G de Leon]]		[[Category: Boenig, G de Leon]]
	[[Category: Hymowitz, S G]]		[[Category: Hymowitz, S G]]

OCA at 00:16, 26 January 2017

2017-01-26T00:16:27Z

← Older revision		Revision as of 00:16, 26 January 2017
Line 1:		Line 1:

	==Crystal structure of RORc in complex with a phenyl sulfonamide agonist==		==Crystal structure of RORc in complex with a phenyl sulfonamide agonist==
	<StructureSection load='4wpf' size='340' side='right' caption='[[4wpf]], [[Resolution\|resolution]] 2.20Å' scene=''>		<StructureSection load='4wpf' size='340' side='right' caption='[[4wpf]], [[Resolution\|resolution]] 2.20Å' scene=''>
Line 4:		Line 5:
	<table><tr><td colspan='2'>[[4wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WPF FirstGlance]. <br>		<table><tr><td colspan='2'>[[4wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WPF FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE'>3SN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE'>3SN</scene></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=4wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wpf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wpf RCSB], [http://www.ebi.ac.uk/pdbsum/4wpf 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=4wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wpf OCA], [http://pdbe.org/4wpf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4wpf RCSB], [http://www.ebi.ac.uk/pdbsum/4wpf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4wpf ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 16:		Line 17:
	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 4wpf" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 06:39, 15 April 2015

2015-04-15T06:39:21Z

← Older revision		Revision as of 06:39, 15 April 2015
Line 8:		Line 8:
	== Function ==		== Function ==
	[[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.		[[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.
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			A minor structural change to tertiary sulfonamide RORc ligands led to distinct mechanisms of action. Co-crystal structures of two compounds revealed mechanistically consistent protein conformational changes. Optimized phenylsulfonamides were identified as RORc agonists while benzylsulfonamides exhibited potent inverse agonist activity. Compounds behaving as agonists in our biochemical assay also gave rise to an increased production of IL-17 in human PBMCs whereas inverse agonists led to significant suppression of IL-17 under the same assay conditions. The most potent inverse agonist compound showed >180-fold selectivity over the ROR isoforms as well as all other nuclear receptors that were profiled.

			Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.,Rene O, Fauber BP, Boenig Gde L, Burton B, Eidenschenk C, Everett C, Gobbi A, Hymowitz SG, Johnson AR, Kiefer JR, Liimatta M, Lockey P, Norman M, Ouyang W, Wallweber HA, Wong H ACS Med Chem Lett. 2014 Dec 4;6(3):276-81. doi: 10.1021/ml500420y. eCollection, 2015 Mar 12. PMID:25815138<ref>PMID:25815138</ref>

			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			== References ==
			<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Boenig, G]]		[[Category: Boenig, G de Leon]]
	[[Category: Hymowitz, S G]]		[[Category: Hymowitz, S G]]
	[[Category: Kiefer, J R]]		[[Category: Kiefer, J R]]

OCA at 13:48, 14 January 2015

2015-01-14T13:48:11Z

← Older revision		Revision as of 13:48, 14 January 2015
Line 1:		Line 1:
	'''~~Unreleased structure~~'''		==Crystal structure of RORc in complex with a phenyl sulfonamide agonist==
			<StructureSection load='4wpf' size='340' side='right' caption='[[4wpf]], [[Resolution\|resolution]] 2.20Å' scene=''>
	~~The entry~~ 4wpf is ~~ON HOLD until Paper Publication~~		== Structural highlights ==
			<table><tr><td colspan='2'>[[4wpf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4WPF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4WPF FirstGlance]. <br>
	~~Authors~~: ~~Kiefer~~, J.R., ~~Wallweber, H~~.A., ~~Boenig, G~~.~~, Hymowitz, S~~.G.		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3SN:N-[4-(4-ACETYLPIPERAZIN-1-YL)-2-FLUOROBENZYL]-N-CYCLOBUTYLBENZENESULFONAMIDE'>3SN</scene></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=4wpf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4wpf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4wpf RCSB], [http://www.ebi.ac.uk/pdbsum/4wpf PDBsum]</span></td></tr>
	~~Description:~~		</table>
	[[~~Category~~: ~~Unreleased Structures~~]]		== Function ==
	~~[[Category: Hymowitz~~, S.~~G]]~~		[[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.
			__TOC__
			</StructureSection>
	[[Category: Boenig, G]]		[[Category: Boenig, G]]
	[[Category: Kiefer, J.R]]		[[Category: Hymowitz, S G]]
	[[Category: Wallweber, H.A]]		[[Category: Kiefer, J R]]
			[[Category: Wallweber, H A]]
			[[Category: Nuclear receptor]]
			[[Category: Ror]]
			[[Category: Rorc]]
			[[Category: Rorg]]
			[[Category: Transcription]]

OCA at 19:49, 24 December 2014

2014-12-24T19:49:12Z

← Older revision		Revision as of 19:49, 24 December 2014
Line 5:		Line 5:
	Authors: Kiefer, J.R., Wallweber, H.A., Boenig, G., Hymowitz, S.G.		Authors: Kiefer, J.R., Wallweber, H.A., Boenig, G., Hymowitz, S.G.

	Description:		Description:
			[[Category: Unreleased Structures]]
			[[Category: Hymowitz, S.G]]
			[[Category: Boenig, G]]
			[[Category: Kiefer, J.R]]
			[[Category: Wallweber, H.A]]

OCA: Protected "4wpf" [edit=sysop:move=sysop]

2014-10-29T10:33:51Z

Protected "4wpf" [edit=sysop:move=sysop]

← Older revision	Revision as of 10:33, 29 October 2014
(No difference)

OCA: New page: '''Unreleased structure''' The entry 4wpf is ON HOLD until Paper Publication Authors: Kiefer, J.R., Wallweber, H.A., Boenig, G., Hymowitz, S.G. Description:

2014-10-29T10:33:50Z

New page: '''Unreleased structure''' The entry 4wpf is ON HOLD until Paper Publication Authors: Kiefer, J.R., Wallweber, H.A., Boenig, G., Hymowitz, S.G. Description:

New page

'''Unreleased structure'''

The entry 4wpf is ON HOLD until Paper Publication

Authors: Kiefer, J.R., Wallweber, H.A., Boenig, G., Hymowitz, S.G.

Description: