3t0l: Difference between revisions

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==Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening==
==Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening==
<StructureSection load='3t0l' size='340' side='right' caption='[[3t0l]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
<StructureSection load='3t0l' size='340' side='right'caption='[[3t0l]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
== Structural highlights ==
== 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>
<table><tr><td colspan='2'>[[3t0l]] 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=3T0L OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/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>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6&#8491;</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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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='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'>[https://proteopedia.org/fgij/fg.htm?mol=3t0l FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3t0l OCA], [https://pdbe.org/3t0l PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3t0l RCSB], [https://www.ebi.ac.uk/pdbsum/3t0l PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3t0l ProSAT]</span></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>
</table>
<div style="background-color:#fffaf0;">
== Function ==
== Publication Abstract from PubMed ==
[https://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.
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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>


==See Also==
==See Also==
*[[14-3-3 protein|14-3-3 protein]]
*[[14-3-3 protein 3D structures|14-3-3 protein 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Ottmann, C]]
[[Category: Large Structures]]
[[Category: Thiel, P]]
[[Category: Ottmann C]]
[[Category: Adapter protein]]
[[Category: Thiel P]]
[[Category: Helical protein]]
[[Category: Protein binding-inhibitor complex]]
[[Category: Protein-protein interaction]]

Latest revision as of 09:58, 1 March 2024

Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening

3t0l, resolution 1.60Å

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