2026-09-12_00000311|ligand|9YKH

Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-6451; X-ray diffraction 1.02Å
Protein #1 170 residues (97% resolved)

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE

GEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLE
Non polymer #2 A1CXQ

InChI=1S/C18H18FN5O2/c1-18(2)7-26-17(25)24(18)23-16-13-12-6-10(19)5-11(9-3-4-9)14(12)22-15(13)20-8-21-16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,20,21,22,23)

CC1(COC(=O)N1Nc2c3c4cc(cc(c4[nH]c3ncn2)C5CC5)F)C
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Reference