2026-03-07_00000212
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ligand
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9R1C
Keap1 - inhibitor complex - 1;
X-ray diffraction 1.69Å
Protein #1
414 residues (69% resolved)
Raw Sequence ...
MAMGSSHHHHHHHHSSGLVPRGSHMASMSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGGAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT
Canonical Sequence ...
MAMGSSHHHHHHHHSSGLVPRGSHMASMSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGGAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT
Non polymer #2
A1JB1
InChI=1S/C28H26N6O8S2/c1-41-19-7-11-21(12-8-19)43(37,38)33(17-27-29-31-32-30-27)25-15-16-26(24-6-4-3-5-23(24)25)34(18-28(35)36)44(39,40)22-13-9-20(42-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,35,36)(H,29,30,31,32)
InChI=1S/C28H26N6O8S2/c1-41-19-7-11-21(12-8-19)43(37,38)33(17-27-29-31-32-30-27)25-15-16-26(24-6-4-3-5-23(24)25)34(18-28(35)36)44(39,40)22-13-9-20(42-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,35,36)(H,29,30,31,32)
SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc2[nH]nnn2)c3ccc(c4c3cccc4)N(CC(=O)O)S(=O)(=O)c5ccc(cc5)OC
COc1ccc(cc1)S(=O)(=O)N(Cc2[nH]nnn2)c3ccc(c4c3cccc4)N(CC(=O)O)S(=O)(=O)c5ccc(cc5)OC
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
monomer
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Model
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