4ufx
From Proteopedia
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| - | '''Unreleased structure''' | ||
| - | + | ==Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19)== | |
| + | <StructureSection load='4ufx' size='340' side='right'caption='[[4ufx]], [[Resolution|resolution]] 1.49Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4ufx]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_vivax Plasmodium vivax]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UFX OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4UFX 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]] 1.49Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=80O:N-[2-(3-METHOXYPHENYL)ETHANIMIDOYL]-2-PIPERIDIN-4-YLOXY-PYRIDINE-3-CARBOXAMIDE'>80O</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NHW:2-OXOPENTADECYL-COA'>NHW</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=4ufx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4ufx OCA], [https://pdbe.org/4ufx PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4ufx RCSB], [https://www.ebi.ac.uk/pdbsum/4ufx PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4ufx ProSAT]</span></td></tr> | ||
| + | </table> | ||
| + | == Function == | ||
| + | [https://www.uniprot.org/uniprot/A5K1A2_PLAVS A5K1A2_PLAVS] Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins (By similarity).[RuleBase:RU000586] | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | N-Myristoyltransferase (NMT) represents an attractive drug target in parasitic infections such as malaria due to its genetic essentiality and amenability to inhibition by drug-like small molecules. Scaffold simplification from previously reported inhibitors containing bicyclic cores identified phenyl derivative 3, providing a versatile platform to study the effects of substitution on the scaffold, which yielded pyridyl 19. This molecule exhibited improved enzyme and cellular potency, and reduced lipophilicity compared to inhibitor 3. Further structure-based inhibitor design led to the discovery of 30, the most potent inhibitor in this series, which showed single-digit nM enzyme affinity and sub-muM anti-plasmodial activity. | ||
| - | + | Discovery of pyridyl-based inhibitors of -myristoyltransferase.,Yu Z, Brannigan JA, Rangachari K, Heal WP, Wilkinson AJ, Holder AA, Leatherbarrow RJ, Tate EW Medchemcomm. 2015 Oct 8;6(10):1767-1772. Epub 2015 Aug 19. PMID:26962430<ref>PMID:26962430</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | [[Category: | + | </div> |
| - | [[Category: | + | <div class="pdbe-citations 4ufx" style="background-color:#fffaf0;"></div> |
| - | [[Category: | + | == References == |
| - | [[Category: | + | <references/> |
| - | [[Category: | + | __TOC__ |
| - | [[Category: | + | </StructureSection> |
| - | [[Category: | + | [[Category: Large Structures]] |
| - | [[Category: Tate | + | [[Category: Plasmodium vivax]] |
| - | [[Category: | + | [[Category: Brannigan JA]] |
| + | [[Category: Heal WP]] | ||
| + | [[Category: Holder AA]] | ||
| + | [[Category: Leatherbarrow RJ]] | ||
| + | [[Category: Rangachari K]] | ||
| + | [[Category: Tate EW]] | ||
| + | [[Category: Wilkinson AJ]] | ||
| + | [[Category: Yu Z]] | ||
Current revision
Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19)
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