5E0J
1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer) inhibitor
Summary for 5E0J
Entry DOI | 10.2210/pdb5e0j/pdb |
Related | 5E0G 5E0H |
Related PRD ID | PRD_002203 |
Descriptor | Norovirus 3C-like protease, CHLORIDE ION, (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate, ... (4 entities in total) |
Functional Keywords | protease, norovirus, norwalk virus, antiviral inhibitors, triazole macrocyclic inhibitor, cell permeable, 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 | 20872.28 |
Authors | Lovell, S.,Battaile, K.P.,Mehzabeen, N.,Weerawarna, P.M.,Kim, Y.,Kankanamalage, A.C.G.,Damalanka, V.C.,Lushington, G.H.,Alliston, K.R.,Chang, K.-O.,Groutas, W.C. (deposition date: 2015-09-28, release date: 2016-05-04, Last modification date: 2023-09-27) |
Primary citation | Weerawarna, P.M.,Kim, Y.,Galasiti Kankanamalage, A.C.,Damalanka, V.C.,Lushington, G.H.,Alliston, K.R.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C. Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. Eur.J.Med.Chem., 119:300-318, 2016 Cited by PubMed: 27235842DOI: 10.1016/j.ejmech.2016.04.013 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.2 Å) |
Structure validation
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