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{{STRUCTURE_4dhp|  PDB=4dhp  |  SCENE=  }}
===Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening===


==Function==
==Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening==
[[http://www.uniprot.org/uniprot/1433S_HUMAN 1433S_HUMAN]] Adapter protein implicated in the regulation of a large spectrum of both general and specialized signaling pathways. Binds to a large number of partners, usually by recognition of a phosphoserine or phosphothreonine motif. Binding generally results in the modulation of the activity of the binding partner. When bound to KRT17, regulates protein synthesis and epithelial cell growth by stimulating Akt/mTOR pathway (By similarity).  p53-regulated inhibitor of G2/M progression.  
<StructureSection load='4dhp' size='340' side='right'caption='[[4dhp]], [[Resolution|resolution]] 1.75&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[4dhp]] 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=4DHP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DHP 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]] 1.75&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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>, <scene name='pdbligand=Y07:[2-(2-{[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}-2-OXOETHOXY)PHENYL]PHOSPHONIC+ACID'>Y07</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=4dhp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dhp OCA], [https://pdbe.org/4dhp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dhp RCSB], [https://www.ebi.ac.uk/pdbsum/4dhp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dhp 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.


==About this Structure==
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>
[[4dhp]] 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=4DHP OCA].
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 4dhp" 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: Homo sapiens]]
[[Category: Kohlbacher, O.]]
[[Category: Large Structures]]
[[Category: Ottmann, C.]]
[[Category: Kohlbacher O]]
[[Category: Roeglin, L.]]
[[Category: Ottmann C]]
[[Category: Thiel, P.]]
[[Category: Roeglin L]]
[[Category: Adapter protein]]
[[Category: Thiel P]]
[[Category: Phosphoprotein binding]]
[[Category: Protein binding-inhibitor complex]]
Retrieved from "https://proteopedia.org/4dhp"