5WEJ

1.95 A resolution structure of Norovirus 3CL protease in complex with a dipeptidyl oxazolidinone-based inhibitor

Summary for 5WEJ

• Entry DOI: 10.2210/pdb5wej/pdb
• Descriptor: Genome polyprotein, (2S)-2-{(5S)-5-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl}-4-methyl-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}pentanamide (3 entities in total)
• Functional Keywords: protease, norovirus, norwalk virus, antiviral inhibitors, oxazolidinone-based dipeptidyl inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Norwalk virus (Hu/NV/NV/1968/US)
• Total number of polymer chains: 2
• Total formula weight: 41180.17

Authors

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Damalanka, V.C.,Kim, Y.,Kankanamalage, A.C.G.,Rathnayake, A.D.,Nguyen, H.N.,Chang, K.O.,Groutas, W.C. (deposition date: 2017-07-10, release date: 2017-12-13, Last modification date: 2023-10-04)

• Primary citation: Damalanka, V.C.,Kim, Y.,Galasiti Kankanamalage, A.C.,Rathnayake, A.D.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Nguyen, H.N.,Lushington, G.H.,Chang, K.O.,Groutas, W.C.; Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease.; Eur J Med Chem, 143:881-890, 2017; PubMed: 29227928; DOI: 10.1016/j.ejmech.2017.12.014

Experimental method

X-RAY DIFFRACTION (1.95 Å)