2025-08-30_00000143|ligand|9HWX

Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#1090 at 1.74 Angstrom resolution; X-ray diffraction 1.74Å
Protein #1 304 residues (95% resolved)

GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC
Non polymer #2 A1IX1

InChI=1S/C30H33NO6/c32-29(31-24-5-3-1-2-4-6-24)19-37-25-11-9-20-7-8-21(15-23(20)16-25)26(18-30(33)34)22-10-12-27-28(17-22)36-14-13-35-27/h7-12,15-17,24,26H,1-6,13-14,18-19H2,(H,31,32)(H,33,34)/t26-/m0/s1

c1cc(cc2c1ccc(c2)OCC(=O)NC3CCCCCC3)[C@H](CC(=O)O)c4ccc5c(c4)OCCO5
Non polymer #3 DMS

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

CS(=O)C
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Reference