4b12: Difference between revisions

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-[[Image:4b12.png|left|200px]]
+==Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)==
+<StructureSection load='4b12' size='340' side='right' caption='[[4b12]], [[Resolution|resolution]] 1.79&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4b12]] 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=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>
+<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='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=4b12 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4b12 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4b12 RCSB], [http://www.ebi.ac.uk/pdbsum/4b12 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.
-{{STRUCTURE_4b12|  PDB=4b12  |  SCENE=  }}
+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>
-===Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23)===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_23035716}}
+== References ==
+<references/>
-==About this Structure==
+__TOC__
-[[4b12]] 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=4B12 OCA].
+</StructureSection>
 [[Category: Glycylpeptide N-tetradecanoyltransferase]]
 [[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: Malaria]]
 [[Category: Plasmodium]]
 [[Category: Transferase]]