2026-09-12_00000070|ligand|30HE

Crystal structure of mouse Keap1 Kelch domain with a small molecule inhibitor; X-ray diffraction 1.40Å
Protein #1 304 residues (95% resolved)

GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC
Non polymer #2 A1J6G

InChI=1S/C29H33N5O5S/c1-5-22-17-33(40(37,38)26-8-7-13-30-29(26)39-22)16-21-14-20(10-9-18(21)3)24(15-27(35)36)23-11-12-25-28(19(23)4)31-32-34(25)6-2/h7-14,22,24H,5-6,15-17H2,1-4H3,(H,35,36)/t22-,24+/m1/s1

CC[C@@H]1CN(S(=O)(=O)c2cccnc2O1)Cc3cc(ccc3C)[C@H](CC(=O)O)c4ccc5c(c4C)nnn5CC
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Reference