5DGJ
1.0A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (20-mer) inhibitor
Summary for 5DGJ
Entry DOI | 10.2210/pdb5dgj/pdb |
Related | 5DG6 |
Related PRD ID | PRD_002189 |
Descriptor | 3C-LIKE PROTEASE, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate (3 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 | 1 |
Total formula weight | 20718.86 |
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 Cited by PubMed: 26823007DOI: 10.1021/acs.jmedchem.5b01464 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1 Å) |
Structure validation
Download full validation report