4cyq

Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45).

spinqualitylabelsall models 4cyq, resolution 1.65Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4cyq is a 1 chain structure with sequence from Leishmania major. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.65Å Ligands: MG, MYA, YAU Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function Q4Q5S8_LEIMA Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins (By similarity). Publication Abstract from PubMed Inhibitors 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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