2025-10-18_00000191|ligand|9HYN

CRYSTAL STRUCTURE OF THE SMARCA2-VCB-COMPLEX WITH PROTAC P1; X-ray diffraction 2.37Å
Protein #1 104 residues (100% resolved)

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK

MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMK
Protein #2 103 residues (84% resolved)

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDCLELLMA

MMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDCLELLMA
Protein #3 168 residues (89% resolved)

GSMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGDTQERIA

GSMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGDTQERIA
Protein #4 129 residues (89% resolved)

SMAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEEKSARQK

SMAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEEKSARQK
Non polymer #5 A1IYO

InChI=1S/C46H57BrFN9O7S/c1-28-38(65-27-50-28)29-9-10-30(23-49-40(59)35-22-32(58)26-56(35)42(61)39(45(2,3)4)51-43(62)46(48)11-12-46)36(21-29)64-20-19-63-18-17-54-13-15-55(16-14-54)24-31-25-57-34-8-6-7-33(47)37(34)41(60)52-44(57)53(31)5/h6-10,21,25,27,32,35,39,58H,11-20,22-24,26H2,1-5H3,(H,49,59)(H,51,62)/p+1/t32-,35+,39-/m1/s1

Cc1c(scn1)c2ccc(c(c2)OCCOCC[NH+]3CCN(CC3)CC4=CN5c6cccc(c6C(=O)N=C5N4C)Br)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O
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Reference