5E0H

1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (18-mer) inhibitor

Summary for 5E0H

• Entry DOI: 10.2210/pdb5e0h/pdb
• Related: 5E0G 5E0J
• Related PRD ID: PRD_002202
• Descriptor: Norovirus 3C-like protease, (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, GLYCEROL, ... (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: 2
• Total formula weight: 40902.00

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; PubMed: 27235842; DOI: 10.1016/j.ejmech.2016.04.013

Experimental method

X-RAY DIFFRACTION (1.95 Å)