2026-09-05_00000096
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ligand
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30JR
Structure of mouse AsterC (GramD1c) with a novel non-steroidal selective inhibitor;
X-ray diffraction 2.00Å
Protein #1
173 residues (100% resolved)
Raw Sequence ...
PEKDLQGRLYINRVFHISAERMFELLFTSSHFMQRFANSRNIIDVVSTPWTVESGGNQLRTMTYTIVLSNPLTGKYTAATEKQTLYKESREAQFYLVDSEVLTHDVPYHDYFYTLNRYCIVRSAKQRCRLRVSTDLKYRKQPWGLIKSLIEKNSWSSLESYFKKLESDLLMEE
Canonical Sequence ...
PEKDLQGRLYINRVFHISAERMFELLFTSSHFMQRFANSRNIIDVVSTPWTVESGGNQLRTMTYTIVLSNPLTGKYTAATEKQTLYKESREAQFYLVDSEVLTHDVPYHDYFYTLNRYCIVRSAKQRCRLRVSTDLKYRKQPWGLIKSLIEKNSWSSLESYFKKLESDLLMEE
Non polymer #2
A1J6U
InChI=1S/C21H21F3N2O3S/c1-11-17(20(2,3)27)30-19(26-11)14-7-6-12(8-15(14)21(22,23)24)13-9-16(28-4)18(29-5)25-10-13/h6-10,27H,1-5H3
InChI=1S/C21H21F3N2O3S/c1-11-17(20(2,3)27)30-19(26-11)14-7-6-12(8-15(14)21(22,23)24)13-9-16(28-4)18(29-5)25-10-13/h6-10,27H,1-5H3
SMILES: Cc1c(sc(n1)c2ccc(cc2C(F)(F)F)c3cc(c(nc3)OC)OC)C(C)(C)O
Cc1c(sc(n1)c2ccc(cc2C(F)(F)F)c3cc(c(nc3)OC)OC)C(C)(C)O
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
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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