2025-04-19_00000041|ligand|7IAO

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-0029543-001; X-ray diffraction 2.24Å
Protein #1 46 residues (83% resolved)

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE

SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE
Protein #2 168 residues (92% resolved)

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE

MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKREEETPVE
Non polymer #3 A1B8X

InChI=1S/C23H26ClN5O2/c24-17-8-19(20-13-27-29-21(20)9-17)22(23(30)26-10-14-3-5-31-6-4-14)28-18-2-1-15-11-25-12-16(15)7-18/h1-2,7-9,13-14,22,25,28H,3-6,10-12H2,(H,26,30)(H,27,29)/t22-/m1/s1

c1cc2c(cc1N[C@H](c3cc(cc4c3cn[nH]4)Cl)C(=O)NCC5CCOCC5)CNC2
Non polymer #4 DMS

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

CS(=O)C
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Reference