5TG2
1.75 A resolution structure of Norovirus 3CL protease in complex with the a n-pentyl substituted macrocyclic inhibitor (17-mer)
Summary for 5TG2
Entry DOI | 10.2210/pdb5tg2/pdb |
Related | 5TG1 |
Related PRD ID | PRD_002248 |
Descriptor | 3C-LIKE PROTEASE, (4S,7S,17R)-7-(hydroxymethyl)-4-(2-methylpropyl)-17-pentyl-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione (3 entities in total) |
Functional Keywords | protease, norovirus, norwalk virus, antiviral inhibitors, macrocyclic inhibitor, hydrolase-hydrolase inhibitor complex, protease-protease inhibitor complex, protease/protease inhibitor |
Biological source | Norwalk virus (Hu/NV/NV/1968/US) |
Total number of polymer chains | 1 |
Total formula weight | 20567.74 |
Authors | Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Damalanka, V.C.,Kim, Y.,Kankanamalage, A.C.G.,Chang, K.-O.,Groutas, W.C. (deposition date: 2016-09-27, release date: 2017-01-11, Last modification date: 2023-10-04) |
Primary citation | Damalanka, V.C.,Kim, Y.,Galasiti Kankanamalage, A.C.,Lushington, G.H.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C. Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease. Eur J Med Chem, 127:41-61, 2016 Cited by PubMed: 28038326DOI: 10.1016/j.ejmech.2016.12.033 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.75 Å) |
Structure validation
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