2026-04-04_00000071|ligand|9CXZ

Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-1501; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1A54

InChI=1S/C16H16N6O2/c1-9(23)19-11-5-2-4-10-13-15(20-14(10)11)17-8-18-16(13)21-22-7-3-6-12(22)24/h2,4-5,8H,3,6-7H2,1H3,(H,19,23)(H2,17,18,20,21)

CC(=O)Nc1cccc2c1[nH]c3c2c(ncn3)NN4CCCC4=O
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference