6W5L

2.1 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7g

Summary for 6W5L

• Entry DOI: 10.2210/pdb6w5l/pdb
• Descriptor: 3C-LIKE PROTEASE, (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide (3 entities in total)
• Functional Keywords: protease, norovirus 3cl protease, inhhibitors, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Norwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US)
• Total number of polymer chains: 4
• Total formula weight: 82948.77

Authors

Lovell, S.,Kashipathy, M.M.,Battaile, K.P.,Rathnayake, A.D.,Kim, Y.,Chang, K.O.,Groutas, W.C. (deposition date: 2020-03-13, release date: 2020-09-30, Last modification date: 2023-10-18)

• Primary citation: Rathnayake, A.D.,Kim, Y.,Dampalla, C.S.,Nguyen, H.N.,Jesri, A.M.,Kashipathy, M.M.,Lushington, G.H.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.; J.Med.Chem., 63:11945-11963, 2020; PubMed: 32945669; DOI: 10.1021/acs.jmedchem.0c01252

Experimental method

X-RAY DIFFRACTION (2.1 Å)