4uai: Difference between revisions

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-'''Unreleased structure'''
+==Crystal structure of CXCL12 in complex with inhibitor==
+<StructureSection load='4uai' size='340' side='right' caption='[[4uai]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4uai]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UAI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UAI FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3GG:1-PHENYL-3-[4-(1H-TETRAZOL-5-YL)PHENYL]UREA'>3GG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=4uai FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uai OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4uai RCSB], [http://www.ebi.ac.uk/pdbsum/4uai PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+CXCL12 binds to CXCR4, promoting both chemotaxis of lymphocytes and metastasis of cancer cells. We previously identified small molecule ligands that bind CXCL12 and block CXCR4-mediated chemotaxis. We now report a 1.9 Angstrom resolution X-ray structure of CXCL12 bound by such a molecule at a site normally bound by sY21 of CXCR4. The complex structure reveals binding hot spots for future inhibitor design and suggests a new approach to targeting CXCL12-CXCR4 signaling in drug discovery.
-The entry 4uai is ON HOLD  until Paper Publication
+Structural analysis of a novel small molecule ligand bound to the CXCL12 chemokine.,Smith E, Liu Y, Getschman AE, Peterson F, Ziarek JJ, Li R, Volkman BF, Chen Y J Med Chem. 2014 Oct 30. PMID:25356720<ref>PMID:25356720</ref>
-Authors: Smith, E.W., Chen, Y.
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description: Crystal structure of CXCL12 in complex with inhibitor
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Chen, Y]]
+[[Category: Smith, E W]]
+[[Category: Chemokine]]
+[[Category: Complex]]
+[[Category: Cxcl12]]
+[[Category: Inhibitor]]