Nature Communications · 2017 · 121 citations · 20 references
Life SciencesBiologyMolecular BiologyDrug DesignDrug DiscoveryVirologyAntiviral PharmacologyRna Polymerase StructureRna StructureRna-binding ProteinsViral StructureVirus StructureAntiviral Drug DesignNon-nucleoside AntiviralsNon-nucleoside InhibitorsProtein Structural AnalysisRna Virus BiologyRna-dependent Rna Polymerase FunctionStructural VirologyViral Rna Structure
The current Zika virus (ZIKV) outbreak became a global health threat of complex epidemiology and devastating neurological impacts, therefore requiring urgent efforts towards the development of novel efficacious and safe antiviral drugs. Due to its central role in RNA viral replication, the non-structural protein 5 (NS5) RNA-dependent RNA-polymerase (RdRp) is a prime target for drug discovery. Here we describe the crystal structure of the recombinant ZIKV NS5 RdRp domain at 1.9 Å resolution as a platform for structure-based drug design strategy. The overall structure is similar to other flaviviral homologues. However, the priming loop target site, which is suitable for non-nucleoside polymerase inhibitor design, shows significant differences in comparison with the dengue virus structures, including a tighter pocket and a modified local charge distribution.
20
Features and development of <i>Coot</i>
Paul Emsley, Bernhard Lohkamp, W. G. Scott et al. · Acta Crystallographica Section D Biological Crystallography · 2010 · 29.6K citations · Full text
<i>Phaser</i>crystallographic software
Airlie J. McCoy, Ralf W. Grosse‐Kunstleve, Paul D. Adams et al. · Journal of Applied Crystallography · 2007 · 20.9K citations · Full text
Wolfgang Kabsch · Acta Crystallographica Section D Biological Crystallography · 2010 · 16.9K citations · Full text