2025-11-29_00000061|ligand|9IBY

Crystal structure of Zika Virus NS2B-NS3 protease in complex with compound 2; X-ray diffraction 2.29Å
Protein #1 230 residues (72% resolved)

GSHMVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEDDGPPMAGGGGSGGGGSGALWDVPAPKEVKKGETTDGVYRVMTRGLLGSTQVGVGVMQEGVFHTMWHVTKGSALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGHSEVQLLAVPPGERARNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDK(CAF)GRVIGLYGNGVVIKNGSYVSAITQGRR

GSHMVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEDDGPPMAGGGGSGGGGSGALWDVPAPKEVKKGETTDGVYRVMTRGLLGSTQVGVGVMQEGVFHTMWHVTKGSALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGHSEVQLLAVPPGERARNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGRR
Non polymer #2 A1I16

InChI=1S/C22H18F3N7O2/c1-13-20(14(2)28-12-27-13)15-6-7-18(26-9-15)10-32-11-19(34-31-32)30-21(33)29-17-5-3-4-16(8-17)22(23,24)25/h3-9,11-12H,10H2,1-2H3,(H-,29,30,31,33)/p+1

Cc1c(c(ncn1)C)c2ccc(nc2)C[n+]3cc(on3)NC(=O)Nc4cccc(c4)C(F)(F)F
Non polymer #3 ACY

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)

CC(=O)O
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Reference