2024-09-21_00000071|ligand|8U9T

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI97; X-ray diffraction 1.65Å
Protein #1 306 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 W1L

InChI=1S/C28H32Cl2N4O4/c1-28(2)22-14-33(24(23(22)28)26(37)32-19(15-35)13-16-11-12-31-25(16)36)27(38)34(20-7-3-17(29)4-8-20)21-9-5-18(30)6-10-21/h3-10,16,19,22-24,35H,11-15H2,1-2H3,(H,31,36)(H,32,37)/t16-,19-,22-,23-,24-/m0/s1

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)N(c3ccc(cc3)Cl)c4ccc(cc4)Cl)C(=O)N[C@@H](C[C@@H]5CCNC5=O)CO)C
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Reference