SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006m

An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.

Flat Si Rh coated M0, Kirkpatrick-Baez flat bent Si M1 & M2

Liquid nitrogen-cooled double crystal, non fixed exit slit

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

Sitting drops consisted of 0.18 uL A:0.18 uL B:
A) 7 mg/mL Mpro + 1 mM ML1006m in in 20 mM Tris pH 7.3 + 2 mM DTT + 3 % DMSO
B) 0.1 M HEPES pH 7.5 + 10% w/v PEG8000

HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY

SARSCoV2, SARS-CoV-2, coronavirus, Main Protease, Protease, Mpro, 3C-like proteinase, CL3pro, Inhibitor, Complex, Covalent, Adduct, ML1006m, Ketoamide, Peptidomimetic, Viral Protein