4b13: Difference between revisions
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[[ | ==Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25)== | ||
<StructureSection load='4b13' size='340' side='right' caption='[[4b13]], [[Resolution|resolution]] 1.58Å' scene=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4b13]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Plasmodium_vivax Plasmodium vivax]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4B13 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4B13 FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</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>, <scene name='pdbligand=X25:4-{[2-(3-BENZYL-1,2,4-OXADIAZOL-5-YL)-3-METHYL-1-BENZOFURAN-4-YL]OXY}PIPERIDINE'>X25</scene></td></tr> | |||
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4a95|4a95]], [[4b10|4b10]], [[4b11|4b11]], [[4b12|4b12]], [[4b14|4b14]]</td></tr> | |||
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycylpeptide_N-tetradecanoyltransferase Glycylpeptide N-tetradecanoyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.3.1.97 2.3.1.97] </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=4b13 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4b13 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4b13 RCSB], [http://www.ebi.ac.uk/pdbsum/4b13 PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
Design of inhibitors for N-myristoyltransferase (NMT), an enzyme responsible for protein trafficking in Plasmodium falciparum , the most lethal species of parasites that cause malaria, is described. Chemistry-driven optimization of compound 1 from a focused NMT inhibitor library led to the identification of two early lead compounds 4 and 25, which showed good enzyme and cellular potency and excellent selectivity over human NMT. These molecules provide a valuable starting point for further development. | |||
Design and Synthesis of Inhibitors of Plasmodium falciparum N-Myristoyltransferase, A Promising Target for Antimalarial Drug Discovery.,Yu Z, Brannigan JA, Moss DK, Brzozowski AM, Wilkinson AJ, Holder AA, Tate EW, Leatherbarrow RJ J Med Chem. 2012 Oct 15. PMID:23035716<ref>PMID:23035716</ref> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
</div> | |||
== References == | |||
== | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: Glycylpeptide N-tetradecanoyltransferase]] | [[Category: Glycylpeptide N-tetradecanoyltransferase]] | ||
[[Category: Plasmodium vivax]] | [[Category: Plasmodium vivax]] | ||
[[Category: Brannigan, J A | [[Category: Brannigan, J A]] | ||
[[Category: Brzozowski, A M | [[Category: Brzozowski, A M]] | ||
[[Category: Holder, A A | [[Category: Holder, A A]] | ||
[[Category: Leatherbarrow, R J | [[Category: Leatherbarrow, R J]] | ||
[[Category: Moss, D K | [[Category: Moss, D K]] | ||
[[Category: Tate, E W | [[Category: Tate, E W]] | ||
[[Category: Wilkinson, A J | [[Category: Wilkinson, A J]] | ||
[[Category: Yu, Z | [[Category: Yu, Z]] | ||
[[Category: Drug design]] | [[Category: Drug design]] | ||
[[Category: Malaria]] | [[Category: Malaria]] | ||
[[Category: Transferase]] | [[Category: Transferase]] | ||
