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5t6e

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==Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand==
==Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand==
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<StructureSection load='5t6e' size='340' side='right' caption='[[5t6e]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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<StructureSection load='5t6e' size='340' side='right'caption='[[5t6e]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[5t6e]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Aspfu Aspfu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5T6E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5T6E FirstGlance]. <br>
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<table><tr><td colspan='2'>[[5t6e]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Aspergillus_fumigatus_Af293 Aspergillus fumigatus Af293]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5T6E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5T6E 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=75R:1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine'>75R</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</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]] 2.3&#8491;</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">nmt1, AFUA_4G08070 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=330879 ASPFU])</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=75R:1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine'>75R</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene></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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=5t6e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5t6e OCA], [https://pdbe.org/5t6e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5t6e RCSB], [https://www.ebi.ac.uk/pdbsum/5t6e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5t6e ProSAT]</span></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=5t6e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5t6e OCA], [http://pdbe.org/5t6e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5t6e RCSB], [http://www.ebi.ac.uk/pdbsum/5t6e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5t6e ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/NMT_ASPFU NMT_ASPFU]] Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins.
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[https://www.uniprot.org/uniprot/NMT_ASPFU NMT_ASPFU] Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins.
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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N-Myristoyltransferase (NMT) represents a promising drug target within the parasitic protozoa Trpanosoma brucei (T. brucei), the causative agent for human African trypanosomiasis (HAT) or sleeping sickness. We have previously validated T. brucei NMT as a promising druggable target for the treatment of HAT in both stage 1 and 2 of the disease. We report on the use of the previously reported DDD85646 (1) as a start point for the design of a class of potent, brain penetrant inhibitors of T. brucei NMT.
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Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors.,Bayliss T, Robinson DA, Smith VC, Brand S, McElroy SP, Torrie LS, Mpamhanga C, Norval S, Stojanovski L, Brenk R, Frearson JA, Read KD, Gilbert IH, Wyatt PG J Med Chem. 2017 Nov 10. doi: 10.1021/acs.jmedchem.7b01255. PMID:29125744<ref>PMID:29125744</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 5t6e" 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: Aspfu]]
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[[Category: Aspergillus fumigatus Af293]]
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[[Category: Glycylpeptide N-tetradecanoyltransferase]]
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[[Category: Large Structures]]
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[[Category: ROBINSON, D A]]
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[[Category: Robinson DA]]
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[[Category: WYATT, P G]]
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[[Category: Wyatt PG]]
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[[Category: Acyltransferase]]
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[[Category: Drug discovery]]
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[[Category: Transferase]]
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Current revision

Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand

PDB ID 5t6e

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