2025-04-19_00000026|ligand|7IA9

Group deposition of ZIKV NS2B-NS3 protease in complex with inhibitors from ASAP Discovery Consortium -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0029890-001; X-ray diffraction 2.25Å
Protein #1 46 residues (85% resolved)

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE
Protein #2 168 residues (93% resolved)

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #3 A1B8U

InChI=1S/C16H14N4O2/c17-15-14-12(2-1-3-13(14)22-20-15)16(21)19-11-5-4-9-7-18-8-10(9)6-11/h1-6,18H,7-8H2,(H2,17,20)(H,19,21)

c1cc(c2c(c1)onc2N)C(=O)Nc3ccc4c(c3)CNC4
Non polymer #4 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
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Reference