4dhu
From Proteopedia
(Difference between revisions)
(New page: '''Unreleased structure''' The entry 4dhu is ON HOLD Authors: Thiel, P., Roeglin, L., Kohlbacher, O., Ottmann, C. Description: Small-molecule inhibitors of 14-3-3 protein-protein inter...) |
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| - | '''Unreleased structure''' | ||
| - | + | ==Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening== | |
| + | <StructureSection load='4dhu' size='340' side='right'caption='[[4dhu]], [[Resolution|resolution]] 1.67Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4dhu]] 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=4DHU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DHU FirstGlance]. <br> | ||
| + | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.67Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0KH:(2-{2-[(2,3-DICHLOROPHENYL)AMINO]-2-OXOETHOXY}PHENYL)PHOSPHONIC+ACID'>0KH</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene></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=4dhu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dhu OCA], [https://pdbe.org/4dhu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dhu RCSB], [https://www.ebi.ac.uk/pdbsum/4dhu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dhu ProSAT]</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> | ||
| + | <div class="pdbe-citations 4dhu" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[14-3-3 protein 3D structures|14-3-3 protein 3D structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Kohlbacher O]] | ||
| + | [[Category: Ottmann C]] | ||
| + | [[Category: Roeglin L]] | ||
| + | [[Category: Thiel P]] | ||
Current revision
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
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