8a0v
From Proteopedia
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==Crystal structure of TEAD3 in complex with CPD2== | ==Crystal structure of TEAD3 in complex with CPD2== | ||
| - | <StructureSection load='8a0v' size='340' side='right'caption='[[8a0v]]' scene=''> | + | <StructureSection load='8a0v' size='340' side='right'caption='[[8a0v]], [[Resolution|resolution]] 2.70Å' scene=''> |
== Structural highlights == | == Structural highlights == | ||
| - | <table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8A0V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8A0V FirstGlance]. <br> | + | <table><tr><td colspan='2'>[[8a0v]] is a 4 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=8A0V OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8A0V FirstGlance]. <br> |
| - | </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=8a0v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8a0v OCA], [https://pdbe.org/8a0v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8a0v RCSB], [https://www.ebi.ac.uk/pdbsum/8a0v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8a0v ProSAT]</span></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]] 2.699Å</td></tr> |
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=KNE:[(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine'>KNE</scene>, <scene name='pdbligand=MYR:MYRISTIC+ACID'>MYR</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=8a0v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8a0v OCA], [https://pdbe.org/8a0v PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8a0v RCSB], [https://www.ebi.ac.uk/pdbsum/8a0v PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8a0v ProSAT]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Inhibition of the YAP-TEAD protein-protein interaction is an attractive therapeutic concept under intense investigation with the objective to treat cancers associated with a dysregulation of the Hippo pathway. However, owing to the very extended surface of interaction of the two proteins, the identification of small drug-like molecules able to efficiently prevent YAP from binding to TEAD by direct competition has been elusive so far. We disclose here the discovery of the first class of small molecules potently inhibiting the YAP-TEAD interaction by binding at one of the main interaction sites of YAP at the surface of TEAD. These inhibitors, providing a path forward to pharmacological intervention in the Hippo pathway, evolved from a weakly active virtual screening hit advanced to high potency by structure-based design. | ||
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| + | The First Class of Small Molecules Potently Disrupting the YAP-TEAD Interaction by Direct Competition.,Furet P, Bordas V, Le Douget M, Salem B, Mesrouze Y, Imbach-Weese P, Sellner H, Voegtle M, Soldermann N, Chapeau E, Wartmann M, Scheufler C, Fernandez C, Kallen J, Guagnano V, Chene P, Schmelzle T ChemMedChem. 2022 Oct 6;17(19):e202200303. doi: 10.1002/cmdc.202200303. Epub 2022 , Sep 2. PMID:35950546<ref>PMID:35950546</ref> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | <div class="pdbe-citations 8a0v" style="background-color:#fffaf0;"></div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
| + | [[Category: Homo sapiens]] | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Kallen J]] | [[Category: Kallen J]] | ||
[[Category: Scheufler C]] | [[Category: Scheufler C]] | ||
Current revision
Crystal structure of TEAD3 in complex with CPD2
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