5DG6

2.35A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (21-mer) inhibitor

Summary for 5DG6

• Entry DOI: 10.2210/pdb5dg6/pdb
• Related: 5DGJ
• Related PRD ID: PRD_002187
• Descriptor: 3C-LIKE PROTEASE, CHLORIDE ION, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate, ... (4 entities in total)
• Functional Keywords: protease, norovirus, norwalk virus, antiviral inhibitors, oxadiazole inhibitor, cell permeable, 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: 40965.38

Authors

Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Damalanka, V.C.,Kim, Y.,Alliston, K.R.,Weerawarna, P.M.,Kankanamalage, A.C.G.,Lushington, G.H.,Chang, K.-O.,Groutas, W.C. (deposition date: 2015-08-27, release date: 2016-02-10, Last modification date: 2023-09-27)

• Primary citation: Damalanka, V.C.,Kim, Y.,Alliston, K.R.,Weerawarna, P.M.,Galasiti Kankanamalage, A.C.,Lushington, G.H.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.; Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.; J.Med.Chem., 59:1899-1913, 2016; PubMed: 26823007; DOI: 10.1021/acs.jmedchem.5b01464

Experimental method

X-RAY DIFFRACTION (2.35 Å)