7O2M

Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2289

Summary for 7O2M

Entry DOI	10.2210/pdb7o2m/pdb
Descriptor	Genome polyprotein, 1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, ... (4 entities in total)
Functional Keywords	flavivirin, serine protease, viral protein, ns2b-ns3, zika virus
Biological source	Zika virus (ZIKV) More
Total number of polymer chains	2
Total formula weight	25604.84
Authors	Huber, S.,Heine, A.,Steinmetzer, T. (deposition date: 2021-03-30, release date: 2022-04-06, Last modification date: 2024-01-31)
Primary citation	Huber, S.,Braun, N.J.,Schmacke, L.C.,Quek, J.P.,Murra, R.,Bender, D.,Hildt, E.,Luo, D.,Heine, A.,Steinmetzer, T. Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors. J.Med.Chem., 65:6555-6572, 2022 Cited by PubMed: 35475620 DOI: 10.1021/acs.jmedchem.1c01860 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation