OCA at 17:06, 29 November 2023

OCA — Wed, 29 Nov 2023 17:06:53 GMT

←Older revision		Revision as of 17:06, 29 November 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 7ezp is ~~ON HOLD until Paper~~ Publication	+	==Indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase==
		+	<StructureSection load='7ezp' size='340' side='right'caption='[[7ezp]], [[Resolution\|resolution]] 2.80Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[7ezp]] 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=7EZP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7EZP 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]] 2.8Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0GI:3-(3-hydroxy-3-oxopropyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic+acid'>0GI</scene>, <scene name='pdbligand=FBP:BETA-FRUCTOSE-1,6-DIPHOSPHATE'>FBP</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=7ezp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7ezp OCA], [https://pdbe.org/7ezp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7ezp RCSB], [https://www.ebi.ac.uk/pdbsum/7ezp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7ezp ProSAT]</span></td></tr>
		+	</table>
		+	== Disease ==
		+	[https://www.uniprot.org/uniprot/F16P1_HUMAN F16P1_HUMAN] Defects in FBP1 are the cause of fructose-1,6-bisphosphatase deficiency (FBPD) [MIM:[https://omim.org/entry/229700 229700]. FBPD is inherited as an autosomal recessive disorder mainly in the liver and causes life-threatening episodes of hypoglycemia and metabolic acidosis (lactacidemia) in newborn infants or young children.<ref>PMID:9382095</ref> <ref>PMID:12126934</ref>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/F16P1_HUMAN F16P1_HUMAN]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Liver fructose-1,6-bisphosphatase (FBPase) is a key enzyme in the gluconeogenesis, and its inhibitors are expected to be novel antidiabetic agents. Herein, a series of new indole and benzofuran analogues were designed and synthesized to evaluate the inhibitory activity against FBPase. As a result, the novel FBPase inhibitors bearing N-acylsulfonamide moiety on the 3-position of the indole-2-carboxylic acid scaffold (compounds 22f and 22g) were identified with IC(50)s at the submicromolar levels. Three X-ray crystal structures of the complexes were solved and revealed the structural basis for the inhibitory activity. The chemoinformatics analysis further disclosed the distinct binding features of this class of inhibitors, providing an insight for further modifications to create structurally distinct FBPase inhibitors with high potency and drug-like properties.

-	~~Authors~~:	+	Discovery of Novel Indole Derivatives as Fructose-1,6-bisphosphatase Inhibitors and X-ray Cocrystal Structures Analysis.,Wang X, Zhao R, Ji W, Zhou J, Liu Q, Zhao L, Shen Z, Liu S, Xu B ACS Med Chem Lett. 2021 Dec 20;13(1):118-127. doi: , 10.1021/acsmedchemlett.1c00613. eCollection 2022 Jan 13. PMID:35059131<ref>PMID:35059131</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 7ezp" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Fructose-1%2C6-bisphosphatase 3D structures\|Fructose-1%2C6-bisphosphatase 3D structures]]
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Wang XY]]
		+	[[Category: Xu BL]]
		+	[[Category: Zhou J]]

OCA at 07:45, 21 July 2021

OCA — Wed, 21 Jul 2021 07:45:24 GMT

←Older revision		Revision as of 07:45, 21 July 2021
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7ezp is ON HOLD	+	The entry 7ezp is ON HOLD until Paper Publication

	Authors:		Authors:

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

OCA — Wed, 09 Jun 2021 11:01:28 GMT

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

←Older revision

Revision as of 11:01, 9 June 2021

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

OCA — Wed, 09 Jun 2021 11:01:27 GMT

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

New page

'''Unreleased structure'''

The entry 7ezp is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]

7ezp - Revision history

OCA at 17:06, 29 November 2023

OCA at 07:45, 21 July 2021

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

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