2026-08-15_00000144|ligand|9T52

Crystal structure of SARS-CoV-2 Mpro in complex with RK-452; X-ray diffraction 1.76Å
Protein #1 306 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1JTT

InChI=1S/C31H40N4O5/c36-27(19-22-10-5-3-6-11-22)34-26-18-23-13-8-12-21(17-23)9-4-1-2-7-15-32-31(40)28(37)25(35-30(26)39)20-24-14-16-33-29(24)38/h3,5-6,8,10-13,17,24-26,28,37H,1-2,4,7,9,14-16,18-20H2,(H,32,40)(H,33,38)(H,34,36)(H,35,39)/t24-,25-,26-,28+/m0/s1

c1ccc(cc1)CC(=O)N[C@H]2Cc3cccc(c3)CCCCCCNC(=O)[C@@H]([C@@H](NC2=O)C[C@@H]4CCNC4=O)O
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Reference