2025-08-30_00000139|ligand|9HWT

Crystal structure of the Keap1 Kelch domain in complex with the small molecule UCAB#985 at 1.65 Angstrom resolution; X-ray diffraction 1.65Å
Protein #1 304 residues (96% resolved)

GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC

GPKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQNCTC
Non polymer #2 A1IX4

InChI=1S/C30H33NO6/c1-19-12-27-28(37-18-36-27)15-25(19)26(16-30(33)34)21-9-8-20-10-11-24(14-22(20)13-21)35-17-29(32)31-23-6-4-2-3-5-7-23/h8-15,23,26H,2-7,16-18H2,1H3,(H,31,32)(H,33,34)/t26-/m0/s1

Cc1cc2c(cc1[C@@H](CC(=O)O)c3ccc4ccc(cc4c3)OCC(=O)NC5CCCCCC5)OCO2
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 DMS

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

CS(=O)C
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Reference