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4XBB

1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate

Summary for 4XBB
Entry DOI10.2210/pdb4xbb/pdb
Related4XBC 4XBD
Descriptor3C-LIKE PROTEASE, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate, SULFATE ION, ... (4 entities in total)
Functional Keywordsprotease, norovirus, norwalk virus, antiviral inhibitors, dipeptidyl inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceNorwalk virus (strain GI/Human/United States/Norwalk/1968) (Hu/NV/NV/1968/US)
Cellular locationProtein p48: Host membrane ; Single-pass membrane protein . NTPase: Host membrane ; Single- pass membrane protein . Protein p22: Host membrane ; Single-pass membrane protein : Q83883
Total number of polymer chains1
Total formula weight20834.24
Authors
Primary citationGalasiti Kankanamalage, A.C.,Kim, Y.,Weerawarna, P.M.,Uy, R.A.,Damalanka, V.C.,Mandadapu, S.R.,Alliston, K.R.,Mehzabeen, N.,Battaile, K.P.,Lovell, S.,Chang, K.O.,Groutas, W.C.
Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies.
J.Med.Chem., 58:3144-3155, 2015
Cited by
PubMed: 25761614
DOI: 10.1021/jm5019934
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.85 Å)
Structure validation

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