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4a95

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==Plasmodium vivax N-myristoyltransferase with quinoline inhibitor==
==Plasmodium vivax N-myristoyltransferase with quinoline inhibitor==
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<StructureSection load='4a95' size='340' side='right' caption='[[4a95]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
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<StructureSection load='4a95' size='340' side='right'caption='[[4a95]], [[Resolution|resolution]] 1.55&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4a95]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Plavi Plavi]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4A95 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4A95 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4a95]] 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=4A95 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4A95 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9MT:3-(3-BUTYL-6-METHOXY-2-METHYL-QUINOLIN-4-YL)SULFANYLPROPANENITRILE'>9MT</scene>, <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></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.55&#8491;</td></tr>
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<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>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9MT:3-(3-BUTYL-6-METHOXY-2-METHYL-QUINOLIN-4-YL)SULFANYLPROPANENITRILE'>9MT</scene>, <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></td></tr>
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<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=4a95 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a95 OCA], [http://pdbe.org/4a95 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4a95 RCSB], [http://www.ebi.ac.uk/pdbsum/4a95 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4a95 ProSAT]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4a95 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4a95 OCA], [https://pdbe.org/4a95 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4a95 RCSB], [https://www.ebi.ac.uk/pdbsum/4a95 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4a95 ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://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]
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[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]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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N-Myristoyltransferase (NMT) is a prospective drug target against parasitic protozoa. Herein we report the successful discovery of a series of Plasmodium vivax NMT inhibitors by high-throughput screening. A high-resolution crystal structure of the hit compound in complex with NMT was obtained, allowing understanding of its novel binding mode. A set of analogues was designed and tested to define the chemical groups relevant for activity and selectivity.
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Discovery of Plasmodium vivax N-myristoyltransferase inhibitors: screening, synthesis, and structural characterization of their binding mode.,Goncalves V, Brannigan JA, Whalley D, Ansell KH, Saxty B, Holder AA, Wilkinson AJ, Tate EW, Leatherbarrow RJ J Med Chem. 2012 Apr 12;55(7):3578-82. Epub 2012 Apr 3. PMID:22439843<ref>PMID:22439843</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4a95" style="background-color:#fffaf0;"></div>
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Glycylpeptide N-tetradecanoyltransferase]]
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[[Category: Large Structures]]
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[[Category: Plavi]]
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[[Category: Plasmodium vivax]]
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[[Category: Ansell, K H]]
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[[Category: Ansell KH]]
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[[Category: Brannigan, J A]]
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[[Category: Brannigan JA]]
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[[Category: Goncalves, V]]
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[[Category: Goncalves V]]
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[[Category: Holder, A A]]
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[[Category: Holder AA]]
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[[Category: Leatherbarrow, R J]]
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[[Category: Leatherbarrow RJ]]
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[[Category: Saxty, B]]
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[[Category: Saxty B]]
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[[Category: Tate, E W]]
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[[Category: Tate EW]]
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[[Category: Whalley, D]]
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[[Category: Whalley D]]
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[[Category: Wilkinson, A J]]
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[[Category: Wilkinson AJ]]
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[[Category: Malaria]]
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[[Category: Transferase]]
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Current revision

Plasmodium vivax N-myristoyltransferase with quinoline inhibitor

PDB ID 4a95

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