4bbh
From Proteopedia
(Difference between revisions)
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| - | [[ | + | ==Plasmodium vivax N-myristoyltransferase with a bound benzothiophene inhibitor== |
| + | <StructureSection load='4bbh' size='340' side='right' caption='[[4bbh]], [[Resolution|resolution]] 1.63Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4bbh]] 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=4BBH OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BBH 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=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>, <scene name='pdbligand=YBN:3-METHOXYBENZYL+3-(PIPERIDIN-4-YLOXY)-1-BENZOTHIOPHENE-2-CARBOXYLATE'>YBN</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]], [[4b13|4b13]], [[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=4bbh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bbh OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bbh RCSB], [http://www.ebi.ac.uk/pdbsum/4bbh PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | N-Myristoyltransferase (NMT) is an attractive anti-protozoan drug target. A lead-hopping approach was utilized in the design and synthesis of novel benzo[b]thiophene-containing inhibitors of Plasmodium falciparum (Pf) and Plasmodium vivax (Pv) NMT. These inhibitors are selective against Homo sapiens NMT1 (HsNMT), have excellent ligand efficiency (LE) and display anti-parasitic activity in vitro. The binding mode of this series was determined by crystallography and shows a novel binding mode for the benzothiophene ring. | ||
| - | + | Discovery of Novel and Ligand-Efficient Inhibitors of Plasmodium falciparum and Plasmodium vivax N-Myristoyltransferase.,Rackham MD, Brannigan JA, Moss DK, Yu Z, Wilkinson AJ, Holder AA, Tate EW, Leatherbarrow RJ J Med Chem. 2012 Nov 22. PMID:23170970<ref>PMID:23170970</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: Holder, A A | + | [[Category: Holder, A A]] |
| - | [[Category: Leatherbarrow, R J | + | [[Category: Leatherbarrow, R J]] |
| - | [[Category: Moss, D K | + | [[Category: Moss, D K]] |
| - | [[Category: Rackham, M D | + | [[Category: Rackham, M D]] |
| - | [[Category: Tate, E W | + | [[Category: Tate, E W]] |
| - | [[Category: Wilkinson, A J | + | [[Category: Wilkinson, A J]] |
| - | [[Category: Yu, Z | + | [[Category: Yu, Z]] |
[[Category: Inhibitor]] | [[Category: Inhibitor]] | ||
[[Category: Malaria]] | [[Category: Malaria]] | ||
[[Category: Myristoylation]] | [[Category: Myristoylation]] | ||
[[Category: Transferase]] | [[Category: Transferase]] | ||
Revision as of 16:11, 9 December 2014
Plasmodium vivax N-myristoyltransferase with a bound benzothiophene inhibitor
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