6br6

N2 neuraminidase in complex with a novel antiviral compound

spinqualitylabelsall models 6br6, resolution 2.04Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6br6 is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: BMA, CA, E3M, GOL, MAN, NAG, NI Related: 6br5 Activity: Exo-alpha-sialidase, with EC number 3.2.1.18 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed Influenza virus infection continues to cause significant, often severe, respiratory illness worldwide. A validated target for development of anti-influenza agents is the viral surface protein sialidase. In the current study, we have discovered a highly potent inhibitor of influenza virus sialidase, based on a novel sialosyl sulfonate template. The synthesised 3-guanidino sialosyl alpha-sulfonate, a sulfonozanamivir analogue, inhibits virus replication in vitro at a nanomolar level, comparable to that of anti-influenza drug zanamivir. Using protein X-ray crystallography we show that the sialosyl alpha-sulfonate template orients within the sialidase active site in a (1)C(4) chair conformation. The C1-sulfonate moiety forms crucial and strong-binding interactions with the active site's triarginyl cluster, while the 3-guanidino moiety significantly interacts with conserved active site residues. This sulfonozanamivir analogue provides a new direction in anti-influenza virus drug development. A Sulfonozanamivir Analogue has Potent Anti-influenza Virus Activity.,Hadhazi A, Li L, Bailly B, Maggioni A, Martin G, Dirr L, Dyason J, Thomson R, Gao G, Borbas A, Ve T, Pascolutti M, von Itzstein M ChemMedChem. 2018 Feb 17. doi: 10.1002/cmdc.201800092. PMID:29453852 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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