5IDK

Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide boronate inhibitor

Summary for 5IDK

Entry DOI	10.2210/pdb5idk/pdb
Descriptor	Genome polyprotein,SERINE PROTEASE SUBUNIT NS2B, SERINE PROTEASE NS3, ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol, DIMETHYL SULFOXIDE, ... (5 entities in total)
Functional Keywords	antivirus agents, peptides, west nile virus, boronic acid, viral protein
Biological source	West Nile virus (WNV) More
Total number of polymer chains	3
Total formula weight	75508.54
Authors	Hilgenfeld, R.,Zhang, L. (deposition date: 2016-02-24, release date: 2016-12-14, Last modification date: 2024-01-10)
Primary citation	Nitsche, C.,Zhang, L.,Weigel, L.F.,Schilz, J.,Graf, D.,Bartenschlager, R.,Hilgenfeld, R.,Klein, C.D. Peptide-Boronic Acid Inhibitors of Flaviviral Proteases: Medicinal Chemistry and Structural Biology. J. Med. Chem., 60:511-516, 2017 Cited by PubMed: 27966962 DOI: 10.1021/acs.jmedchem.6b01021 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.5 Å)

Structure validation