2025-04-19_00000038|ligand|7IAL

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-0029640-001; X-ray diffraction 2.15Å
Protein #1 46 residues (85% resolved)

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE
Protein #2 168 residues (93% resolved)

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #3 A1B80

InChI=1S/C25H24ClN5O3S/c1-15-2-6-20(7-3-15)35(33,34)14-28-25(32)24(21-9-18(26)10-23-22(21)13-29-31-23)30-19-5-4-16-11-27-12-17(16)8-19/h2-10,13,24,27,30H,11-12,14H2,1H3,(H,28,32)(H,29,31)/t24-/m1/s1

Cc1ccc(cc1)S(=O)(=O)CNC(=O)[C@@H](c2cc(cc3c2cn[nH]3)Cl)Nc4ccc5c(c4)CNC5
Non polymer #4 DMS

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

CS(=O)C
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Reference