7wjv - Revision history

OCA at 17:41, 29 November 2023

OCA — Wed, 29 Nov 2023 17:41:34 GMT

←Older revision		Revision as of 17:41, 29 November 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7wjv]] 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=7WJV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WJV FirstGlance]. <br>		<table><tr><td colspan='2'>[[7wjv]] 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=7WJV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WJV FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AMP:ADENOSINE+MONOPHOSPHATE'>AMP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LSA:1,2-BENZISOTHIAZOL-3(2H)-ONE+1,1-DIOXIDE'>LSA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PMQ:BENZYLCARBAMIC+ACID'>PMQ</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]] 1.724Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AMP:ADENOSINE+MONOPHOSPHATE'>AMP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LSA:1,2-BENZISOTHIAZOL-3(2H)-ONE+1,1-DIOXIDE'>LSA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PMQ:BENZYLCARBAMIC+ACID'>PMQ</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=7wjv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wjv OCA], [https://pdbe.org/7wjv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wjv RCSB], [https://www.ebi.ac.uk/pdbsum/7wjv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wjv 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=7wjv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wjv OCA], [https://pdbe.org/7wjv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wjv RCSB], [https://www.ebi.ac.uk/pdbsum/7wjv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wjv ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/Q2TU34_HUMAN Q2TU34_HUMAN]]	+	[https://www.uniprot.org/uniprot/Q2TU34_HUMAN Q2TU34_HUMAN]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 7wjv" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7wjv" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Fructose-1%2C6-bisphosphatase 3D structures\|Fructose-1%2C6-bisphosphatase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 04:48, 8 September 2022

OCA — Thu, 08 Sep 2022 04:48:54 GMT

←Older revision		Revision as of 04:48, 8 September 2022
Line 3:		Line 3:
	<StructureSection load='7wjv' size='340' side='right'caption='[[7wjv]], [[Resolution\|resolution]] 1.72Å' scene=''>		<StructureSection load='7wjv' size='340' side='right'caption='[[7wjv]], [[Resolution\|resolution]] 1.72Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7wjv]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7WJV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WJV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7wjv]] 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=7WJV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WJV FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AMP:ADENOSINE+MONOPHOSPHATE'>AMP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LSA:1,2-BENZISOTHIAZOL-3(2H)-ONE+1,1-DIOXIDE'>LSA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PMQ:BENZYLCARBAMIC+ACID'>PMQ</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AMP:ADENOSINE+MONOPHOSPHATE'>AMP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LSA:1,2-BENZISOTHIAZOL-3(2H)-ONE+1,1-DIOXIDE'>LSA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PMQ:BENZYLCARBAMIC+ACID'>PMQ</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=7wjv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wjv OCA], [https://pdbe.org/7wjv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wjv RCSB], [https://www.ebi.ac.uk/pdbsum/7wjv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wjv 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=7wjv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wjv OCA], [https://pdbe.org/7wjv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wjv RCSB], [https://www.ebi.ac.uk/pdbsum/7wjv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wjv ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/Q2TU34_HUMAN Q2TU34_HUMAN]]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 22:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cao, H]]	+	[[Category: Cao H]]
-	[[Category: Huang, Y]]	+	[[Category: Huang Y]]
-	[[Category: Ren, Y]]	+	[[Category: Ren Y]]
-	[[Category: Wan, J]]	+	[[Category: Wan J]]
-	~~[[Category: Cytosolic protein~~]]	+

OCA at 18:20, 27 July 2022

OCA — Wed, 27 Jul 2022 18:20:19 GMT

←Older revision		Revision as of 18:20, 27 July 2022
Line 1:		Line 1:

	==Crystal structure of human liver FBPase complexed with an covalent inhibitor==		==Crystal structure of human liver FBPase complexed with an covalent inhibitor==
-	<StructureSection load='7wjv' size='340' side='right'caption='[[7wjv]]' scene=''>	+	<StructureSection load='7wjv' size='340' side='right'caption='[[7wjv]], [[Resolution\|resolution]] 1.72Å' 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=7WJV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WJV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7wjv]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7WJV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WJV 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=7wjv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wjv OCA], [https://pdbe.org/7wjv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wjv RCSB], [https://www.ebi.ac.uk/pdbsum/7wjv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wjv ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AMP:ADENOSINE+MONOPHOSPHATE'>AMP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LSA:1,2-BENZISOTHIAZOL-3(2H)-ONE+1,1-DIOXIDE'>LSA</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PMQ:BENZYLCARBAMIC+ACID'>PMQ</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=7wjv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wjv OCA], [https://pdbe.org/7wjv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wjv RCSB], [https://www.ebi.ac.uk/pdbsum/7wjv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wjv ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	With a resurgence of covalent drugs, there is an urgent need for the identification of new moieties capable of cysteine bond formation. Herein, we report on the N-acylamino saccharin moieties capable of novel covalent reactions with cysteine. Their utility as alternative electrophilic warheads was demonstrated through the covalent modification of fructose-1,6-bisphosphatase (FBPase), a promising target associated with cancer and type 2 diabetes. The cocrystal structure of title compound W8 bound with FBPase unexpectedly revealed that the N-acylamino saccharin moiety worked as an electrophile warhead that covalently modified the noncatalytic C128 site in FBPase while releasing saccharin, suggesting a previously undiscovered covalent reaction mechanism of saccharin derivatives with cysteine. Treatment of title compound W8 displayed potent inhibition of glucose production in vitro and in vivo. This newly discovered reactive warhead supplements the current repertoire of cysteine covalent modifiers while avoiding some of the limitations generally associated with established moieties.
		+
		+	N-Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.,Wen W, Cao H, Xu Y, Ren Y, Rao L, Shao X, Chen H, Wu L, Liu J, Su C, Peng C, Huang Y, Wan J J Med Chem. 2022 Jul 4. doi: 10.1021/acs.jmedchem.2c00336. PMID:35786925<ref>PMID:35786925</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7wjv" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cao H]]	+	[[Category: Cao, H]]
-	[[Category: Huang Y]]	+	[[Category: Huang, Y]]
-	[[Category: Ren Y]]	+	[[Category: Ren, Y]]
-	[[Category: Wan J]]	+	[[Category: Wan, J]]
		+	[[Category: Cytosolic protein]]

OCA at 05:18, 13 July 2022

OCA — Wed, 13 Jul 2022 05:18:29 GMT

←Older revision		Revision as of 05:18, 13 July 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7wjv ~~is ON HOLD until Paper Publication~~	+	==Crystal structure of human liver FBPase complexed with an covalent inhibitor==
-		+	<StructureSection load='7wjv' size='340' side='right'caption='[[7wjv]]' scene=''>
-	~~Authors~~: ~~Cao~~, H., ~~Huang~~, Y., ~~Ren, Y~~., ~~Wan, J~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7WJV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7WJV FirstGlance]. <br>
-	~~Description: Crystal structure of human liver FBPase complexed with an covalent inhibitor~~	+	</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=7wjv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7wjv OCA], [https://pdbe.org/7wjv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7wjv RCSB], [https://www.ebi.ac.uk/pdbsum/7wjv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7wjv ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Ren, Y~~]]	+	__TOC__
-	[[Category: ~~Cao, H~~]]	+	</StructureSection>
-	[[Category: ~~Huang,~~ Y]]	+	[[Category: Large Structures]]
-	[[Category: Wan, J]]	+	[[Category: Cao H]]
		+	[[Category: Huang Y]]
		+	[[Category: Ren Y]]
		+	[[Category: Wan J]]

OCA at 06:37, 23 February 2022

OCA — Wed, 23 Feb 2022 06:37:07 GMT

←Older revision		Revision as of 06:37, 23 February 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Cao, H., Huang, Y., Ren, Y., Wan, J.		Authors: Cao, H., Huang, Y., Ren, Y., Wan, J.

OCA at 05:43, 27 January 2022

OCA — Thu, 27 Jan 2022 05:43:24 GMT

←Older revision		Revision as of 05:43, 27 January 2022
Line 3:		Line 3:
	The entry 7wjv is ON HOLD		The entry 7wjv is ON HOLD

-	Authors: ~~Hongxuan~~, C., ~~Yunyuan~~, H., ~~Yanliang~~, R., ~~Jian~~, W.	+	Authors: Cao, H., Huang, Y., Ren, Y., Wan, J.

	Description: Crystal structure of human liver FBPase complexed with an covalent inhibitor		Description: Crystal structure of human liver FBPase complexed with an covalent inhibitor
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
-	[[Category: ~~Yunyuan~~, H]]	+	[[Category: Ren, Y]]
-	[[Category: ~~Yanliang~~, R]]	+	[[Category: Cao, H]]
-	[[Category: ~~Hongxuan~~, C]]	+	[[Category: Huang, Y]]
-	[[Category: ~~Jian~~, W]]	+	[[Category: Wan, J]]

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

OCA — Wed, 19 Jan 2022 06:09:08 GMT

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

←Older revision

Revision as of 06:09, 19 January 2022

OCA: New page: '''Unreleased structure''' The entry 7wjv is ON HOLD Authors: Hongxuan, C., Yunyuan, H., Yanliang, R., Jian, W. Description: Crystal structure of human liver FBPase complexed with an c...

OCA — Wed, 19 Jan 2022 06:09:07 GMT

New page: '''Unreleased structure''' The entry 7wjv is ON HOLD Authors: Hongxuan, C., Yunyuan, H., Yanliang, R., Jian, W. Description: Crystal structure of human liver FBPase complexed with an c...

New page

'''Unreleased structure'''

The entry 7wjv is ON HOLD

Authors: Hongxuan, C., Yunyuan, H., Yanliang, R., Jian, W.

Description: Crystal structure of human liver FBPase complexed with an covalent inhibitor
[[Category: Unreleased Structures]]
[[Category: Yunyuan, H]]
[[Category: Yanliang, R]]
[[Category: Hongxuan, C]]
[[Category: Jian, W]]