6W5K

1.95 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5g

Summary for 6W5K

Entry DOI	10.2210/pdb6w5k/pdb
Descriptor	3C-LIKE PROTEASE, N~2~-{[2-(3-chlorophenyl)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide (3 entities in total)
Functional Keywords	protease, norovirus 3cl protease, inhibitors, 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	82036.05
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 Cited by PubMed: 32945669 DOI: 10.1021/acs.jmedchem.0c01252 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation