2026-09-05_00000117|ligand|38HB

Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z9941018035; X-ray diffraction 0.97Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D0T

InChI=1S/C15H19NO4/c1-8-6-11(13(17)7-9(8)2)14(18)16-12-5-3-4-10(12)15(19)20/h6-7,10,12,17H,3-5H2,1-2H3,(H,16,18)(H,19,20)/t10-,12+/m1/s1

Cc1cc(c(cc1C)O)C(=O)N[C@H]2CCC[C@H]2C(=O)O
Non polymer #3 DMS

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

CS(=O)C
Non polymer #4 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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