2026-09-05_00000095
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ligand
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30JI
Structure of mouse AsterC (GramD1c) with a novel non-steroidal selective inhibitor;
X-ray diffraction 1.75Å
Protein #1
173 residues (100% resolved)
Raw Sequence ...
PEKDLQGRLYINRVFHISAERMFELLFTSSHFMQRFANSRNIIDVVSTPWTVESGGNQLRTMTYTIVLSNPLTGKYTAATEKQTLYKESREAQFYLVDSEVLTHDVPYHDYFYTLNRYCIVRSAKQRCRLRVSTDLKYRKQPWGLIKSLIEKNSWSSLESYFKKLESDLLMEE
Canonical Sequence ...
PEKDLQGRLYINRVFHISAERMFELLFTSSHFMQRFANSRNIIDVVSTPWTVESGGNQLRTMTYTIVLSNPLTGKYTAATEKQTLYKESREAQFYLVDSEVLTHDVPYHDYFYTLNRYCIVRSAKQRCRLRVSTDLKYRKQPWGLIKSLIEKNSWSSLESYFKKLESDLLMEE
Non polymer #2
A1J6V
InChI=1S/C22H24N2O3S/c1-12-8-15(16-10-17-20(23-11-16)27-7-6-26-17)9-13(2)18(12)21-24-14(3)19(28-21)22(4,5)25/h8-11,25H,6-7H2,1-5H3
InChI=1S/C22H24N2O3S/c1-12-8-15(16-10-17-20(23-11-16)27-7-6-26-17)9-13(2)18(12)21-24-14(3)19(28-21)22(4,5)25/h8-11,25H,6-7H2,1-5H3
SMILES: Cc1cc(cc(c1c2nc(c(s2)C(C)(C)O)C)C)c3cc4c(nc3)OCCO4
Cc1cc(cc(c1c2nc(c(s2)C(C)(C)O)C)C)c3cc4c(nc3)OCCO4
Non polymer #3
EOH
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
SMILES: CCO
CCO
Biounit #1
monomer
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Model
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