4b12: Difference between revisions
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==Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)== | ==Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)== | ||
<StructureSection load='4b12' size='340' side='right' caption='[[4b12]], [[Resolution|resolution]] 1.79Å' scene=''> | <StructureSection load='4b12' size='340' side='right'caption='[[4b12]], [[Resolution|resolution]] 1.79Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4b12]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/ | <table><tr><td colspan='2'>[[4b12]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Haemamoeba_vivax Haemamoeba vivax]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4B12 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4B12 FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C23:1-[3-METHYL-4-(PIPERIDIN-4-YLOXY)-1-BENZOFURAN-2-YL]-3-PHENYLPROPAN-1-ONE'>C23</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> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C23:1-[3-METHYL-4-(PIPERIDIN-4-YLOXY)-1-BENZOFURAN-2-YL]-3-PHENYLPROPAN-1-ONE'>C23</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='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4a95|4a95]], [[4b10|4b10]], [[4b11|4b11]], [[4b13|4b13]], [[4b14|4b14]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4a95|4a95]], [[4b10|4b10]], [[4b11|4b11]], [[4b13|4b13]], [[4b14|4b14]]</td></tr> | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Glycylpeptide N-tetradecanoyltransferase]] | [[Category: Glycylpeptide N-tetradecanoyltransferase]] | ||
[[Category: | [[Category: Haemamoeba vivax]] | ||
[[Category: Brannigan, J A]] | [[Category: Brannigan, J A]] | ||
[[Category: Brzozowski, A M]] | [[Category: Brzozowski, A M]] | ||
Revision as of 11:44, 6 March 2019
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)
Structural highlights
Function[A5K1A2_PLAVS] Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins (By similarity).[RuleBase:RU000586] Publication Abstract from PubMedDesign 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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