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PDBsum entry 3w09

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Hydrolase/hydrolase inhibitor PDB id
3w09
Jmol
Contents
Protein chain
388 a.a.
Ligands
NAG-NAG-BMA-MAN-
MAN-MAN-MAN-MAN-
MAN
NAG-NAG
NAG
GOL ×7
ZGE
Metals
_CA
Waters ×383

References listed in PDB file
Key reference
Title Mechanism-Based covalent neuraminidase inhibitors with broad-Spectrum influenza antiviral activity.
Authors J.H.Kim, R.Resende, T.Wennekes, H.M.Chen, N.Bance, S.Buchini, A.G.Watts, P.Pilling, V.A.Streltsov, M.Petric, R.Liggins, S.Barrett, J.L.Mckimm-Breschkin, M.Niikura, S.G.Withers.
Ref. Science, 2013, 340, 71-75. [DOI no: 10.1126/science.1232552]
PubMed id 23429702
DOI number 10.1126/SCIENCE.1232552
Abstract
Influenza antiviral agents play important roles in modulating disease severity and in controlling pandemics while vaccines are prepared, but the development of resistance to agents like the commonly used neuraminidase inhibitor oseltamivir may limit their future utility. We report here on a new class of specific, mechanism-based anti-influenza drugs that function through the formation of a stabilized covalent intermediate in the influenza neuraminidase enzyme, and we confirm this mode of action with structural and mechanistic studies. These compounds function in cell-based assays and in animal models, with efficacies comparable to that of the neuraminidase inhibitor zanamivir and with broad-spectrum activity against drug-resistant strains in vitro. The similarity of their structure to that of the natural substrate and their mechanism-based design make these attractive antiviral candidates.
PROCHECK
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 Headers