2026-09-12_00000025|ligand|14AI

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7534232134; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DBP

InChI=1S/C17H15BrN4O3/c1-17(8-13(23)24,10-2-4-11(18)5-3-10)22-16(25)14-12-6-7-19-15(12)21-9-20-14/h2-7,9H,8H2,1H3,(H,22,25)(H,23,24)(H,19,20,21)/t17-/m1/s1

C[C@@](CC(=O)O)(c1ccc(cc1)Br)NC(=O)c2c3cc[nH]c3ncn2
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Reference