6BID

1.15 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic inhibitor

Summary for 6BID

• Entry DOI: 10.2210/pdb6bid/pdb
• Descriptor: 3C-like protease, benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate (3 entities in total)
• Functional Keywords: protease, norovirus, norwalk virus, antiviral inhibitors, triazole-based macrocyclic inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Norwalk virus (Hu/NV/NV/1968/US)
• Total number of polymer chains: 1
• Total formula weight: 20709.81

Authors

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Kankanamalage, A.C.G.,Weerawarna, P.M.,Rathnayake, A.D.,Kim, Y.,Chang, K.O.,Groutas, W.C. (deposition date: 2017-11-01, release date: 2018-11-07, Last modification date: 2023-10-04)

• Primary citation: Galasiti Kankanamalage, A.C.,Weerawarna, P.M.,Rathnayake, A.D.,Kim, Y.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Putative structural rearrangements associated with the interaction of macrocyclic inhibitors with norovirus 3CL protease.; Proteins, 87:579-587, 2019; PubMed: 30883881; DOI: 10.1002/prot.25682

Experimental method

X-RAY DIFFRACTION (1.15 Å)