5y0f: Difference between revisions

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-'''Unreleased structure'''
-The entry 5y0f is ON HOLD  until Paper Publication
+==Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid==
+<StructureSection load='5y0f' size='340' side='right' caption='[[5y0f]], [[Resolution|resolution]] 1.54&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5y0f]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5Y0F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5Y0F FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8JO:2-fluoranyl-5-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic+acid'>8JO</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5y0f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5y0f OCA], [http://pdbe.org/5y0f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5y0f RCSB], [http://www.ebi.ac.uk/pdbsum/5y0f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5y0f ProSAT]</span></td></tr>
+</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) plays a critical role in metabolism and inflammatory processes and therefore is a potential therapeutic target for immunometabolic diseases such as diabetes and atherosclerosis. Herein, we reported the identification of naphthalene-1-sulfonamide derivatives as novel, potent and selective FABP4 inhibitors by applying a structure-based design strategy. The binding affinities of compounds 16dk, 16do and 16du to FABP4, at the molecular level, are equivalent to or even better than that of BMS309403. The X-ray crystallography complemented by the isothermal titration calorimetry studies revealed the binding mode of this series of inhibitors and the pivotal network of ordered water molecules in the binding pocket of FABP4. Moreover, compounds 16dk and 16do showed good metabolic stabilities in liver microsomes. Further extensive in vivo study demonstrated that 16dk and 16do exhibited a dramatic improvement in glucose and lipid metabolism, by decreasing fasting blood glucose and serum lipid levels, enhancing insulin sensitivity, and ameliorating hepatic steatosis in obese diabetic (db/db) mice.
-Authors: Su, H.X., Liu, Q.F., Xu, Y.C.
+From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4.,Gao DD, Dou HX, Su HX, Zhang MM, Wang T, Liu QF, Cai HY, Ding HP, Yang Z, Zhu WL, Xu YC, Wang HY, Li YX Eur J Med Chem. 2018 May 9;154:44-59. doi: 10.1016/j.ejmech.2018.05.007. PMID:29775936<ref>PMID:29775936</ref>
-Description: Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Su, H.X]]
+<div class="pdbe-citations 5y0f" style="background-color:#fffaf0;"></div>
-[[Category: Xu, Y.C]]
+== References ==
-[[Category: Liu, Q.F]]
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Liu, Q F]]
+[[Category: Su, H X]]
+[[Category: Xu, Y C]]
+[[Category: Fabp4]]
+[[Category: Inhibitor]]
+[[Category: Lipid binding protein]]