4uai
From Proteopedia
(Difference between revisions)
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| - | ''' | + | ==Crystal structure of CXCL12 in complex with inhibitor== |
| + | <StructureSection load='4uai' size='340' side='right' caption='[[4uai]], [[Resolution|resolution]] 1.90Å' 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. | ||
| - | + | 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> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Chen, Y]] | ||
| + | [[Category: Smith, E W]] | ||
| + | [[Category: Chemokine]] | ||
| + | [[Category: Complex]] | ||
| + | [[Category: Cxcl12]] | ||
| + | [[Category: Inhibitor]] | ||
Revision as of 07:01, 12 November 2014
Crystal structure of CXCL12 in complex with inhibitor
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Categories: Chen, Y | Smith, E W | Chemokine | Complex | Cxcl12 | Inhibitor
