6MO1

Structure of dengue virus protease with an allosteric Inhibitor that blocks replication

Summary for 6MO1

Entry DOI	10.2210/pdb6mo1/pdb
Descriptor	FLAVIVIRUS_NS2B/Peptidase S7, 5-[4-(aminomethyl)phenyl]-6-[4-(furan-3-yl)phenyl]-N-[(piperidin-4-yl)methyl]pyrazin-2-amine (2 entities in total)
Functional Keywords	allosteric inhibitor, inhibitor, complex, protease, viral protein, viral protein-inhibitor complex, viral protein/inhibitor
Biological source	Dengue virus 2 More
Total number of polymer chains	2
Total formula weight	53540.10
Authors	Lin, Y.-L.,Hua, Y.,Nie, S.,Wu, J.,Wu, F.,Huo, T.,Yao, Y.,Song, Y. (deposition date: 2018-10-03, release date: 2019-05-15, Last modification date: 2023-10-11)
Primary citation	Yao, Y.,Huo, T.,Lin, Y.L.,Nie, S.,Wu, F.,Hua, Y.,Wu, J.,Kneubehl, A.R.,Vogt, M.B.,Rico-Hesse, R.,Song, Y. Discovery, X-ray Crystallography and Antiviral Activity of Allosteric Inhibitors of Flavivirus NS2B-NS3 Protease. J.Am.Chem.Soc., 141:6832-6836, 2019 Cited by PubMed: 31017399 DOI: 10.1021/jacs.9b02505 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3 Å)

Structure validation