OCA at 13:58, 29 November 2023

OCA — Wed, 29 Nov 2023 13:58:18 GMT

←Older revision		Revision as of 13:58, 29 November 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8jve is ~~ON HOLD until Paper~~ Publication	+	==Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer==
		+	<StructureSection load='8jve' size='340' side='right'caption='[[8jve]], [[Resolution\|resolution]] 1.76Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8jve]] 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=8JVE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8JVE FirstGlance]. <br>
		+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.76Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=V6C:1-(3-methoxyphenyl)-1,2,3,4-tetrazole'>V6C</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=8jve FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8jve OCA], [https://pdbe.org/8jve PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8jve RCSB], [https://www.ebi.ac.uk/pdbsum/8jve PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8jve ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/UBE2T_HUMAN UBE2T_HUMAN] Accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins. Catalyzes monoubiquitination. Involved in mitomycin-C (MMC)-induced DNA repair: acts as a specific E2 ubiquitin-conjugating enzyme for the Fanconi anemia complex by associating with E3 ubiquitin-protein ligase FANCL and catalyzing monoubiquitination of FANCD2, a key step in the DNA damage pathway. Also mediates monoubiquitination of FANCL and FANCI. May contribute to ubiquitination and degradation of BRCA1. In vitro able to promote polyubiquitination using all 7 ubiquitin Lys residues, but may prefer 'Lys-11'-, 'Lys-27'-, 'Lys-48'- and 'Lys-63'-linked polyubiquitination.<ref>PMID:16916645</ref> <ref>PMID:17938197</ref> <ref>PMID:19111657</ref> <ref>PMID:19887602</ref> <ref>PMID:19589784</ref> <ref>PMID:20061386</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	UBE2T is an E2 ubiquitin ligase critical for ubiquitination of substrate and plays important roles in many diseases. Despite the important function, UBE2T is considered as an undruggable target due to lack of a pocket for binding to small molecules with satisfied properties for clinical applications. To develop potent and specific UBE2T inhibitors, we adopted a high-throughput screening assay and two compounds-ETC-6152 and ETC-9004 containing a sulfone tetrazole scaffold were identified. Solution NMR study demonstrated the direct interactions between UBE2T and compounds in solution. Further co-crystal structures reveal the binding modes of these compounds. Both compound hydrolysation and formation of a hydrogen bond with the thiol group of the catalytic cysteine were observed. The formation of covalent complex was confirmed with mass spectrometry. As these two compounds inhibit ubiquitin transfer, our study provides a strategy to develop potent inhibitors of UBE2T.

-	~~Authors~~:	+	Identification and characterization of inhibitors covalently modifying catalytic cysteine of UBE2T and blocking ubiquitin transfer.,Anantharajan J, Tan QW, Fulwood J, Sifang W, Huang Q, Ng HQ, Koh X, Xu W, Cherian J, Baburajendran N, Kang C, Ke Z Biochem Biophys Res Commun. 2023 Dec 31;689:149238. doi: , 10.1016/j.bbrc.2023.149238. Epub 2023 Nov 11. PMID:37979329<ref>PMID:37979329</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 8jve" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Anantharajan J]]
		+	[[Category: Baburajendran N]]

OCA at 03:49, 9 August 2023

OCA — Wed, 09 Aug 2023 03:49:59 GMT

←Older revision		Revision as of 03:49, 9 August 2023
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8jve is ON HOLD	+	The entry 8jve is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "8jve" [edit=sysop:move=sysop]

OCA — Wed, 05 Jul 2023 04:03:46 GMT

Protected "8jve" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:03, 5 July 2023

OCA: New page: '''Unreleased structure''' The entry 8jve is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 05 Jul 2023 04:03:45 GMT

New page: '''Unreleased structure''' The entry 8jve is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 8jve is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

8jve - Revision history

OCA at 13:58, 29 November 2023

OCA at 03:49, 9 August 2023

OCA: Protected "8jve" [edit=sysop:move=sysop]

OCA: New page: '''Unreleased structure''' The entry 8jve is ON HOLD Authors: Description: Category: Unreleased Structures