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5xjd
From Proteopedia
(Difference between revisions)
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==TEAD in complex with fragment== | ==TEAD in complex with fragment== | ||
| - | <StructureSection load='5xjd' size='340' side='right' caption='[[5xjd]], [[Resolution|resolution]] 2.22Å' scene=''> | + | <StructureSection load='5xjd' size='340' side='right'caption='[[5xjd]], [[Resolution|resolution]] 2.22Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>[[5xjd]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XJD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5XJD FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[5xjd]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XJD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5XJD FirstGlance]. <br> |
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=87L:(2S)-2-phenyl-2-pyrrol-1-yl-ethanoic+acid'>87L</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=87L:(2S)-2-phenyl-2-pyrrol-1-yl-ethanoic+acid'>87L</scene></td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">Tead4, Tcf13r1, Tef3, Tefr1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10090 LK3 transgenic mice])</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=5xjd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xjd OCA], [http://pdbe.org/5xjd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xjd RCSB], [http://www.ebi.ac.uk/pdbsum/5xjd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xjd 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=5xjd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xjd OCA], [http://pdbe.org/5xjd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xjd RCSB], [http://www.ebi.ac.uk/pdbsum/5xjd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xjd ProSAT]</span></td></tr> | ||
</table> | </table> | ||
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<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
| - | The Hippo pathway | + | The Hippo signaling pathway, which is implicated in the regulation of organ size, has emerged as a potential target for the development of cancer therapeutics. YAP, TAZ (transcription co-activators) and TEAD (transcription factor) are the downstream transcriptional machinery and effectors of the pathway. Formation of the YAP/TAZ-TEAD complex leads to transcription of growth-promoting genes. Conversely, disrupting the interactions of the complex decreases cell proliferation. Herein, we screened a 1000-member fragment library using Thermal Shift Assay and identified a hit fragment. We confirmed its binding at the YAP/TAZ-TEAD interface by X-ray crystallography, and showed that it occupies the same hydrophobic pocket as a conserved phenylalanine of YAP/TAZ. This hit fragment serves as a scaffold for the development of compounds that have the potential to disrupt YAP/TAZ-TEAD interactions. Structure-activity relationship studies and computational modeling were also carried out to identify more potent compounds that may bind at this validated druggable binding site. |
| - | + | Targeting YAP/TAZ-TEAD protein-protein interactions using fragment-based and computational modeling approaches.,Kaan HYK, Sim AYL, Tan SKJ, Verma C, Song H PLoS One. 2017 Jun 1;12(6):e0178381. doi: 10.1371/journal.pone.0178381., eCollection 2017. PMID:28570566<ref>PMID:28570566</ref> | |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
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__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Large Structures]] | ||
| + | [[Category: Lk3 transgenic mice]] | ||
[[Category: Kaan, H Y.K]] | [[Category: Kaan, H Y.K]] | ||
[[Category: Sim, A Y.L]] | [[Category: Sim, A Y.L]] | ||
Revision as of 09:02, 1 May 2019
TEAD in complex with fragment
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