4cyq: Difference between revisions
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==Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45).== | ==Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45).== | ||
<StructureSection load='4cyq' size='340' side='right' caption='[[4cyq]], [[Resolution|resolution]] 1.65Å' scene=''> | <StructureSection load='4cyq' size='340' side='right'caption='[[4cyq]], [[Resolution|resolution]] 1.65Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4cyq]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CYQ OCA]. For a <b>guided tour on the structure components</b> use [ | <table><tr><td colspan='2'>[[4cyq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Leishmania_major Leishmania major]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4CYQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4CYQ FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene>, <scene name='pdbligand=YAU:N-{2-CHLORO-5-[(3S,4R)-1-[(3R)-4-(4-CHLOROPHENYL)-3-HYDROXYBUTANOYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-YL]PHENYL}-2-(4-FLUOROPHENYL)ACETAMIDE'>YAU</scene | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.65Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=MYA:TETRADECANOYL-COA'>MYA</scene>, <scene name='pdbligand=YAU:N-{2-CHLORO-5-[(3S,4R)-1-[(3R)-4-(4-CHLOROPHENYL)-3-HYDROXYBUTANOYL]-4-(HYDROXYMETHYL)PYRROLIDIN-3-YL]PHENYL}-2-(4-FLUOROPHENYL)ACETAMIDE'>YAU</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=4cyq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cyq OCA], [https://pdbe.org/4cyq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4cyq RCSB], [https://www.ebi.ac.uk/pdbsum/4cyq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4cyq ProSAT]</span></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | |||
</table> | </table> | ||
== Function == | == Function == | ||
[ | [https://www.uniprot.org/uniprot/Q4Q5S8_LEIMA Q4Q5S8_LEIMA] Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins (By similarity). | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
| Line 18: | Line 18: | ||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 4cyq" style="background-color:#fffaf0;"></div> | |||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Large Structures]] | ||
[[Category: Bell | [[Category: Leishmania major]] | ||
[[Category: Brannigan | [[Category: Bell AS]] | ||
[[Category: Goncalves | [[Category: Brannigan JA]] | ||
[[Category: Hutton | [[Category: Goncalves V]] | ||
[[Category: Leatherbarrow | [[Category: Hutton JA]] | ||
[[Category: Paape | [[Category: Leatherbarrow RJ]] | ||
[[Category: Roberts | [[Category: Paape D]] | ||
[[Category: Smith | [[Category: Roberts SM]] | ||
[[Category: Tate | [[Category: Smith DF]] | ||
[[Category: Waugh | [[Category: Tate EW]] | ||
[[Category: Wilkinson | [[Category: Waugh T]] | ||
[[Category: Wilkinson AJ]] | |||
Latest revision as of 14:16, 9 May 2024
Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45).Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45).
Structural highlights
FunctionQ4Q5S8_LEIMA Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins (By similarity). Publication Abstract from PubMedInhibitors of Leishmania NMT, a potential target for the treatment of leishmaniasis, obtained from a high-throughput screen were resynthesized to validate activity. Crystal structures bound to Leishmania major NMT were obtained and the active diastereoisomer of one of the inhibitors was identified. Based on structural insights, enzyme inhibition was increased 40-fold through hybridization of two distinct binding modes, resulting in novel, highly potent Leishmania donovani NMT inhibitors with good selectivity over the human enzyme. Structure-Based Design of Potent and Selective Leishmania N-Myristoyltransferase Inhibitors.,Hutton JA, Goncalves V, Brannigan JA, Paape D, Wright MH, Waugh TM, Roberts SM, Bell AS, Wilkinson AJ, Smith DF, Leatherbarrow RJ, Tate EW J Med Chem. 2014 Sep 19. PMID:25238611[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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