2026-10-31_00000061|ligand|15BX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000695; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DS0

InChI=1S/C16H21N5O3/c1-9-5-6-12(22)21(9)20-14-10-7-11(15(23)24-16(2,3)4)19-13(10)17-8-18-14/h7-9H,5-6H2,1-4H3,(H2,17,18,19,20)/t9-/m0/s1

C[C@H]1CCC(=O)N1Nc2c3cc([nH]c3ncn2)C(=O)OC(C)(C)C
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Reference