4dv8 | pdb_00004dv8

Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421

spinqualitylabelsall models 4dv8, resolution 1.63Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4dv8 is a 1 chain structure with sequence from Bacillus anthracis. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 0LX, MLI, ZN Gene: lef, pXO1-107, BXA0172, GBAA_pXO1_0172 (Bacillus anthracis) Activity: Anthrax lethal factor endopeptidase, with EC number 3.4.24.83 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed Four core structures capable of providing sub-nanomolar inhibitors of anthrax lethal factor (LF) were evaluated by comparing the potential for toxicity, physicochemical properties, in vitro ADME profiles, and relative efficacy in a rat lethal toxin (LT) model of LF intoxication. Poor efficacy in the rat LT model exhibited by the phenoxyacetic acid series (3) correlated with low rat microsome and plasma stability. Specific molecular interactions contributing to the high affinity of inhibitors with a secondary amine in the C2-side chain were revealed by X-ray crystallography. Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain.,Jiao GS, Kim S, Moayeri M, Crown D, Thai A, Cregar-Hernandez L, McKasson L, Sankaran B, Lehrer A, Wong T, Johns L, Margosiak SA, Leppla SH, Johnson AT Bioorg Med Chem Lett. 2012 Mar 15;22(6):2242-6. Epub 2012 Feb 1. PMID:22342144 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Anthrax Lethal Factor

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