2026-07-25_00000133
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ligand
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9OPK
Crystal structure of IRAK4 with compound 1, an analog of KT-474 TBM;
X-ray diffraction 2.05Å
Protein #1
304 residues (97% resolved)
Raw Sequence ...
SIAVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQ(TPO)VM(TPO)(SEP)RIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
Canonical Sequence ...
SIAVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
Non polymer #2
A1CDD
InChI=1S/C16H18F2N8O/c1-24-9-11(13(23-24)14(17)18)21-16(27)10-8-20-26-5-2-12(22-15(10)26)25-6-3-19-4-7-25/h2,5,8-9,14,19H,3-4,6-7H2,1H3,(H,21,27)
InChI=1S/C16H18F2N8O/c1-24-9-11(13(23-24)14(17)18)21-16(27)10-8-20-26-5-2-12(22-15(10)26)25-6-3-19-4-7-25/h2,5,8-9,14,19H,3-4,6-7H2,1H3,(H,21,27)
SMILES: Cn1cc(c(n1)C(F)F)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4
Cn1cc(c(n1)C(F)F)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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