6ljt - Revision history

OCA at 11:02, 22 November 2023

OCA — Wed, 22 Nov 2023 11:02:31 GMT

←Older revision		Revision as of 11:02, 22 November 2023
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	<StructureSection load='6ljt' size='340' side='right'caption='[[6ljt]], [[Resolution\|resolution]] 1.45Å' scene=''>		<StructureSection load='6ljt' size='340' side='right'caption='[[6ljt]], [[Resolution\|resolution]] 1.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6ljt]] is a 1 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=6LJT OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6LJT FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ljt]] 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=6LJT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6LJT FirstGlance]. <br>
-	</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=EH6:2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic+acid'>EH6</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]] 1.45Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FABP4 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=EH6:2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic+acid'>EH6</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6ljt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ljt OCA], [~~http~~://pdbe.org/6ljt PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6ljt RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6ljt PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6ljt 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=6ljt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ljt OCA], [https://pdbe.org/6ljt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ljt RCSB], [https://www.ebi.ac.uk/pdbsum/6ljt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ljt ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/FABP4_HUMAN FABP4_HUMAN]] Lipid transport protein in adipocytes. Binds both long chain fatty acids and retinoic acid. Delivers long-chain fatty acids and retinoic acid to their cognate receptors in the nucleus (By similarity).	+	[https://www.uniprot.org/uniprot/FABP4_HUMAN FABP4_HUMAN] Lipid transport protein in adipocytes. Binds both long chain fatty acids and retinoic acid. Delivers long-chain fatty acids and retinoic acid to their cognate receptors in the nucleus (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6ljt" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6ljt" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Fatty acid-binding protein 3D structures\|Fatty acid-binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Li~~, M J~~]]	+	[[Category: Li MJ]]
-	[[Category: Su~~, H X~~]]	+	[[Category: Su HX]]
-	[[Category: Xu~~, Y C~~]]	+	[[Category: Xu YC]]
-	[[Category: Zhang~~, X L]]~~	+	[[Category: Zhang XL]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Fabp4]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Lipid binding protein~~]]	+

OCA at 06:26, 6 May 2020

OCA — Wed, 06 May 2020 06:26:35 GMT

←Older revision		Revision as of 06:26, 6 May 2020
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	==Crystal structure of human FABP4 in complex with a novel inhibitor==		==Crystal structure of human FABP4 in complex with a novel inhibitor==
-	<StructureSection load='6ljt' size='340' side='right'caption='[[6ljt]]' scene=''>	+	<StructureSection load='6ljt' size='340' side='right'caption='[[6ljt]], [[Resolution\|resolution]] 1.45Å' 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=6LJT OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6LJT FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ljt]] is a 1 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=6LJT OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6LJT FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6ljt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ljt OCA], [http://pdbe.org/6ljt PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ljt RCSB], [http://www.ebi.ac.uk/pdbsum/6ljt PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ljt 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=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=EH6:2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic+acid'>EH6</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FABP4 ([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://proteopedia.org/fgij/fg.htm?mol=6ljt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ljt OCA], [http://pdbe.org/6ljt PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ljt RCSB], [http://www.ebi.ac.uk/pdbsum/6ljt PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ljt ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/FABP4_HUMAN FABP4_HUMAN]] Lipid transport protein in adipocytes. Binds both long chain fatty acids and retinoic acid. Delivers long-chain fatty acids and retinoic acid to their cognate receptors in the nucleus (By similarity).
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Fatty-acid binding protein 4 (FABP4) is a promising therapeutic target for immunometabolic diseases, while its potential for systemic inflammatory response syndrome treatment has not been explored. Here, a series of 2-(phenylamino)benzoic acids as novel and potent FABP4 inhibitors are rationally designed based on an interesting fragment that adopts multiple binding poses within FABP4. A fusion of these binding poses leads to the design of compound 3 with an approximately 460-fold improvement in binding affinity compared to the initial fragment. A subsequent structure-aided optimization upon 3 results in a promising lead (17) with the highest binding affinity among all the inhibitors, exerting a significant anti-inflammatory effect in cells and effectively attenuating a systemic inflammatory damage in mice. Our work therefore presents a good example of lead compound discovery derived from the multiple binding poses of a fragment and provides a candidate for development of drugs against inflammation-related diseases.
		+
		+	Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.,Su H, Zou Y, Chen G, Dou H, Xie H, Yuan X, Zhang X, Zhang N, Li M, Xu Y J Med Chem. 2020 Apr 10. doi: 10.1021/acs.jmedchem.9b02107. PMID:32202425<ref>PMID:32202425</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6ljt" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Li MJ]]	+	[[Category: Li, M J]]
-	[[Category: Su HX]]	+	[[Category: Su, H X]]
-	[[Category: Xu YC]]	+	[[Category: Xu, Y C]]
-	[[Category: Zhang XL]]	+	[[Category: Zhang, X L]]
		+	[[Category: Complex]]
		+	[[Category: Fabp4]]
		+	[[Category: Inhibitor]]
		+	[[Category: Lipid binding protein]]

OCA at 06:52, 15 April 2020

OCA — Wed, 15 Apr 2020 06:52:10 GMT

←Older revision		Revision as of 06:52, 15 April 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6ljt is ~~ON HOLD until Paper Publication~~	+	==Crystal structure of human FABP4 in complex with a novel inhibitor==
-		+	<StructureSection load='6ljt' size='340' side='right'caption='[[6ljt]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6LJT OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6LJT FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6ljt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ljt OCA], [http://pdbe.org/6ljt PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ljt RCSB], [http://www.ebi.ac.uk/pdbsum/6ljt PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ljt ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Li MJ]]
		+	[[Category: Su HX]]
		+	[[Category: Xu YC]]
		+	[[Category: Zhang XL]]

OCA at 12:58, 29 January 2020

OCA — Wed, 29 Jan 2020 12:58:27 GMT

←Older revision		Revision as of 12:58, 29 January 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6ljt is ON HOLD	+	The entry 6ljt is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6ljt" [edit=sysop:move=sysop]

OCA — Wed, 25 Dec 2019 07:06:59 GMT

Protected "6ljt" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:06, 25 December 2019

OCA: New page: '''Unreleased structure''' The entry 6ljt is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 25 Dec 2019 07:06:57 GMT

New page: '''Unreleased structure''' The entry 6ljt is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6ljt is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]