Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin.

X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.

Inhibition of SARS-CoV-2 main protease by allosteric drug-binding

3CL-PRO,3CLp,Main protease,Mpro,Non-structural protein 5,nsp5,SARS coronavirus main proteinase

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGH
SMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFC
YMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYE
PLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

Severe acute respiratory syndrome coronavirus 2

EU project 101003551 - EXSCALATE4CoV (E4C)

Free kick target function uses all data and calculates phase error estimates from kicked model. See Praznikar, J. & Turk, D. (2014) Free kick instead of cross-validation in maximum-likelihood refinement of macromolecular crystal structures. Acta Cryst. D70, 3124-3134.

SARS-CoV-2, mPro, COVID-!9, PEPTIDE BINDING PROTEIN