6u3y: Difference between revisions
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<StructureSection load='6u3y' size='340' side='right'caption='[[6u3y]], [[Resolution|resolution]] 2.04Å' scene=''> | <StructureSection load='6u3y' size='340' side='right'caption='[[6u3y]], [[Resolution|resolution]] 2.04Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[6u3y]] is a 3 chain structure with sequence from [ | <table><tr><td colspan='2'>[[6u3y]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6U3Y OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6U3Y FirstGlance]. <br> | ||
</td></tr><tr id=' | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.04Å</td></tr> | ||
<tr id=' | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=PQJ:fos-choline-14'>PQJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6u3y FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6u3y OCA], [https://pdbe.org/6u3y PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6u3y RCSB], [https://www.ebi.ac.uk/pdbsum/6u3y PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6u3y ProSAT]</span></td></tr> | ||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | |||
</table> | </table> | ||
== Function == | |||
[https://www.uniprot.org/uniprot/Q5FBD2_STAAU Q5FBD2_STAAU] | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
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</div> | </div> | ||
<div class="pdbe-citations 6u3y" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 6u3y" style="background-color:#fffaf0;"></div> | ||
==See Also== | |||
*[[Hemolysin 3D structures|Hemolysin 3D structures]] | |||
== References == | == References == | ||
<references/> | <references/> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Large Structures]] | [[Category: Large Structures]] | ||
[[Category: Kozhaya | [[Category: Staphylococcus aureus]] | ||
[[Category: Liu | [[Category: Kozhaya L]] | ||
[[Category: Lu | [[Category: Liu J]] | ||
[[Category: Torres | [[Category: Lu M]] | ||
[[Category: Unutmaz | [[Category: Torres VJ]] | ||
[[Category: Unutmaz D]] | |||
Latest revision as of 10:43, 11 October 2023
Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureusStructure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus
Structural highlights
FunctionPublication Abstract from PubMedThe rapid emergence and dissemination of methicillin-resistant Staphylococcus aureus (MRSA) strains poses a major threat to public health. MRSA possesses an arsenal of secreted host-damaging virulence factors that mediate pathogenicity and blunt immune defenses. Panton-Valentine leukocidin (PVL) and alpha-toxin are exotoxins that create lytic pores in the host cell membrane. They are recognized as being important for the development of invasive MRSA infections and are thus potential targets for antivirulence therapies. Here, we report the high-resolution X-ray crystal structures of both PVL and alpha-toxin in their soluble, monomeric and oligomeric membrane-inserted pore states in complex with n-tetradecylphosphocholine (C14PC). The structures revealed two evolutionarily conserved phosphatidylcholine-binding mechanisms and their roles in modulating host cell attachment, oligomer assembly, and membrane perforation. Moreover, we demonstrate that the soluble C14PC compound protects primary human immune cells in vitro against cytolysis by PVL and alpha-toxin and hence may serve as the basis for the development of an antivirulence agent for managing MRSA infections. Structure-based discovery of a small-molecule inhibitor of methicillin-resistant Staphylococcus aureus virulence.,Liu J, Kozhaya L, Torres VJ, Unutmaz D, Lu M J Biol Chem. 2020 Mar 16. pii: RA120.012697. doi: 10.1074/jbc.RA120.012697. PMID:32179646[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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