4b12: Difference between revisions
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==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=''> | |||
== Structural highlights == | |||
<table><tr><td colspan='2'>[[4b12]] 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=4B12 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4B12 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]] 1.79Å</td></tr> | |||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4b12 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4b12 OCA], [https://pdbe.org/4b12 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4b12 RCSB], [https://www.ebi.ac.uk/pdbsum/4b12 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4b12 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 == | |||
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> | |||
== | <div class="pdbe-citations 4b12" style="background-color:#fffaf0;"></div> | ||
== References == | |||
[[Category: | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: Large Structures]] | |||
[[Category: Plasmodium vivax]] | [[Category: Plasmodium vivax]] | ||
[[Category: Brannigan | [[Category: Brannigan JA]] | ||
[[Category: Brzozowski | [[Category: Brzozowski AM]] | ||
[[Category: Holder | [[Category: Holder AA]] | ||
[[Category: Leatherbarrow | [[Category: Leatherbarrow RJ]] | ||
[[Category: Moss | [[Category: Moss DK]] | ||
[[Category: Tate | [[Category: Tate EW]] | ||
[[Category: Wilkinson | [[Category: Wilkinson AJ]] | ||
[[Category: Yu | [[Category: Yu Z]] | ||
Latest revision as of 14:40, 20 December 2023
Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)
Structural highlights
FunctionA5K1A2_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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