3t0l
From Proteopedia
(Difference between revisions)
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| - | + | ==Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening== | |
| - | + | <StructureSection load='3t0l' size='340' side='right' caption='[[3t0l]], [[Resolution|resolution]] 1.60Å' scene=''> | |
| - | { | + | == Structural highlights == |
| + | <table><tr><td colspan='2'>[[3t0l]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3T0L OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3T0L FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1CT:[2-(2-OXO-2-{[2-(TRIFLUOROMETHYL)PHENYL]AMINO}ETHOXY)PHENYL]PHOSPHONIC+ACID'>1CT</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3lw1|3lw1]], [[3mhr|3mhr]], [[3t0m|3t0m]], [[3u9x|3u9x]], [[4dhm|4dhm]], [[4dhn|4dhn]], [[4dho|4dho]], [[4dhp|4dhp]], [[4dhq|4dhq]], [[4dhr|4dhr]], [[4dhs|4dhs]], [[4dht|4dht]], [[4dhu|4dhu]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">HME1, SFN ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=3t0l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t0l OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3t0l RCSB], [http://www.ebi.ac.uk/pdbsum/3t0l PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We report first non-covalent and exclusively extracellular inhibitors of 14-3-3 protein-protein interactions identified by virtual screening. Optimization by crystal structure analysis and in vitro binding assays yielded compounds capable of disrupting the interaction of 14-3-3sigma with aminopeptidase N in a cellular assay. | ||
| - | + | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.,Thiel P, Roglin L, Meissner N, Hennig S, Kohlbacher O, Ottmann C Chem Commun (Camb). 2013 Aug 27;49(76):8468-70. doi: 10.1039/c3cc44612c. PMID:23939230<ref>PMID:23939230</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | == | + | ==See Also== |
| - | + | *[[14-3-3 protein|14-3-3 protein]] | |
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: Ottmann, C | + | [[Category: Ottmann, C]] |
| - | [[Category: Thiel, P | + | [[Category: Thiel, P]] |
[[Category: Adapter protein]] | [[Category: Adapter protein]] | ||
[[Category: Helical protein]] | [[Category: Helical protein]] | ||
[[Category: Protein binding-inhibitor complex]] | [[Category: Protein binding-inhibitor complex]] | ||
[[Category: Protein-protein interaction]] | [[Category: Protein-protein interaction]] | ||
Revision as of 07:28, 21 December 2014
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
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