2025-04-19_00000035|ligand|7IAI

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-0029753-001; X-ray diffraction 1.88Å
Protein #1 46 residues (85% resolved)

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE
Protein #2 168 residues (93% resolved)

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #3 A1B83

InChI=1S/C16H13N3OS/c20-16(15-7-13-14(21-15)2-1-5-18-13)19-12-4-3-10-8-17-9-11(10)6-12/h1-7,17H,8-9H2,(H,19,20)

c1cc2c(cc(s2)C(=O)Nc3ccc4c(c3)CNC4)nc1
Non polymer #4 DMS

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

CS(=O)C
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Reference