OCA at 16:45, 29 November 2023

2023-11-29T16:45:08Z

← Older revision		Revision as of 16:45, 29 November 2023
Line 1:		Line 1:

	====		==Crystal structure of the Estrogen-Related Receptor alpha (ERRalpha) ligand-binding domain (LBD) in complex with an agonist DS45500853 and a PGC-1alpha peptide==
	<StructureSection load='7e2e' size='340' side='right'caption='[[7e2e]]' scene=''>		<StructureSection load='7e2e' size='340' side='right'caption='[[7e2e]], [[Resolution\|resolution]] 2.70Å' 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'>[[7e2e]] 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=7E2E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7E2E 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=7e2e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7e2e OCA], [https://pdbe.org/7e2e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7e2e RCSB], [https://www.ebi.ac.uk/pdbsum/7e2e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7e2e 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]] 2.7Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HVO:1-[4-(3-tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone'>HVO</scene>, <scene name='pdbligand=IOD:IODIDE+ION'>IOD</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=7e2e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7e2e OCA], [https://pdbe.org/7e2e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7e2e RCSB], [https://www.ebi.ac.uk/pdbsum/7e2e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7e2e ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[https://www.uniprot.org/uniprot/ERR1_HUMAN ERR1_HUMAN] Binds to an ERR-alpha response element (ERRE) containing a single consensus half-site, 5'-TNAAGGTCA-3'. Can bind to the medium-chain acyl coenzyme A dehydrogenase (MCAD) response element NRRE-1 and may act as an important regulator of MCAD promoter. Binds to the C1 region of the lactoferrin gene promoter. Requires dimerization and the coactivator, PGC-1A, for full activity. The ERRalpha/PGC1alpha complex is a regulator of energy metabolism.<ref>PMID:9271417</ref> <ref>PMID:12522104</ref> <ref>PMID:16150865</ref> <ref>PMID:17676930</ref> <ref>PMID:18063693</ref>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			A novel class of estrogen-related receptor alpha (ERRalpha) agonists has been discovered. A structure-activity relationship study of high-throughput screening hits 1 and 2 led to the discovery of benzimidazole 3d (DS20362725) and acetophenone analogue 5c (DS45500853). The X-ray crystal structure of the ERRalpha ligand-binding domain in complex with 5c and PGC-1alpha coactivator peptide revealed conformational changes in the ligand-binding pocket to accommodate 5c and the key interaction between the protein and ligand. Since both analogues avoided PPARgamma transcriptional activity, they can be useful tool compounds for investigating biological ERRalpha functions.

			Discovery of a Novel Class of ERRalpha Agonists.,Shinozuka T, Ito S, Kimura T, Izumi M, Wakabayashi K ACS Med Chem Lett. 2021 Apr 21;12(5):817-821. doi: , 10.1021/acsmedchemlett.1c00100. eCollection 2021 May 13. PMID:34055231<ref>PMID:34055231</ref>

			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			<div class="pdbe-citations 7e2e" style="background-color:#fffaf0;"></div>
			== References ==
			<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: ~~Z-disk~~]]		[[Category: Ito S]]
			[[Category: Izumi M]]
			[[Category: Kimura T]]
			[[Category: Shinozuka T]]
			[[Category: Wakabayashi K]]

OCA at 03:33, 2 July 2021

2021-07-02T03:33:04Z

← Older revision		Revision as of 03:33, 2 July 2021
Line 1:		Line 1:
	~~'''Unreleased structure'''~~

	~~The entry~~ 7e2e is ~~ON HOLD until Paper Publication~~		====
			<StructureSection load='7e2e' size='340' side='right'caption='[[7e2e]]' scene=''>
	~~Authors:~~		== 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>
	~~Description~~:		</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=7e2e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7e2e OCA], [https://pdbe.org/7e2e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7e2e RCSB], [https://www.ebi.ac.uk/pdbsum/7e2e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7e2e ProSAT]</span></td></tr>
	[[Category: ~~Unreleased Structures~~]]		</table>
			__TOC__
			</StructureSection>
			[[Category: Large Structures]]
			[[Category: Z-disk]]

OCA at 05:32, 24 February 2021

2021-02-24T05:32:38Z

← Older revision		Revision as of 05:32, 24 February 2021
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 7e2e is ON HOLD		The entry 7e2e is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7e2e" [edit=sysop:move=sysop]

2021-02-10T09:11:32Z

Protected "7e2e" [edit=sysop:move=sysop]

← Older revision	Revision as of 09:11, 10 February 2021
(No difference)

OCA: New page: '''Unreleased structure''' The entry 7e2e is ON HOLD Authors: Description: Category: Unreleased Structures

2021-02-10T09:11:31Z

New page: '''Unreleased structure''' The entry 7e2e is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7e2e is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

7e2e - Revision history

OCA at 16:45, 29 November 2023

OCA at 03:33, 2 July 2021

OCA at 05:32, 24 February 2021

OCA: Protected "7e2e" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 7e2e is ON HOLD Authors: Description: Category: Unreleased Structures