5t6e | pdb_00005t6e

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

spinqualitylabelsall models 5t6e, resolution 2.30Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5t6e is a 1 chain structure with sequence from Aspfu. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 75R, MYA Gene: nmt1, AFUA_4G08070 (ASPFU) Activity: Glycylpeptide N-tetradecanoyltransferase, with EC number 2.3.1.97 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [NMT_ASPFU] Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins. Publication Abstract from PubMed 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. 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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