2025-07-19_00000240|ligand|9RM7

Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0036543; X-ray diffraction 1.45Å
Protein #1 214 residues (72% resolved)

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEMKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEEMKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #2 A1JHL

InChI=1S/C20H20F5N3O/c1-11-4-13(6-15(5-11)20(23,24)25)18(19(29)27-10-17(21)22)28-16-3-2-12-8-26-9-14(12)7-16/h2-7,17-18,26,28H,8-10H2,1H3,(H,27,29)/t18-/m0/s1

Cc1cc(cc(c1)C(F)(F)F)[C@@H](C(=O)NCC(F)F)Nc2ccc3c(c2)CNC3
Non polymer #3 DMS

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

CS(=O)C
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Reference