2025-10-11_00000225|ligand|9VD2

Crystal Structure of kelch domain of human KEAP1 in complex with CH7286675; X-ray diffraction 1.70Å
Protein #1 293 residues (97% resolved)

GSHMAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

GSHMAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT
Non polymer #2 A1L99

InChI=1S/C35H34Cl2FN3O6/c1-45-23-11-35(12-23)16-40(17-35)22-7-27(36)31(28(37)8-22)33(42)39-13-19-3-2-4-24(32(19)47-18-39)25-10-30(26(34(43)44)9-29(25)38)41-20-5-6-21(41)15-46-14-20/h2-4,7-10,20-21,23H,5-6,11-18H2,1H3,(H,43,44)/t20-,21+

COC1CC2(C1)CN(C2)c3cc(c(c(c3)Cl)C(=O)N4Cc5cccc(c5OC4)c6cc(c(cc6F)C(=O)O)N7[C@@H]8CC[C@H]7COC8)Cl
Non polymer #3 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #4 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
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Reference