2026-01-10_00000198
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ligand
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9FUF
Crystal structure of human DYRK1A in complex with ARN25641;
X-ray diffraction 2.70Å
Protein #1
361 residues (95% resolved)
Raw Sequence ...
GPSSHKKERKVYNDGYDDDNYDYIVKNGEKWMDRYEIDSLIGKGSFGQVVKAYDRVEQEWVAIKIIKNKKAFLNQAQIEVRLLELMNKHDTEMKYYIVHLKRHFMFRNHLCLVFEMLSYNLYDLLRNTNFRGVSLNLTRKFAQQMCTALLFLATPELSIIHCDLKPENILLCNPKRSAIKIVDFGSSCQLGQRIYQ(PTR)IQSRFYRSPEVLLGMPYDLAIDMWSLGCILVEMHTGEPLFSGANEVDQMNKIVEVLGIPPAHILDQAPKARKFFEKLPDGTWNLKKTKDGKREYKPPGTRKLHNILGVETGGPGGRRAGESGHTVADYLKFKDLILRMLDYDPKTRIQPYYALQHSFFKKTADE
Canonical Sequence ...
GPSSHKKERKVYNDGYDDDNYDYIVKNGEKWMDRYEIDSLIGKGSFGQVVKAYDRVEQEWVAIKIIKNKKAFLNQAQIEVRLLELMNKHDTEMKYYIVHLKRHFMFRNHLCLVFEMLSYNLYDLLRNTNFRGVSLNLTRKFAQQMCTALLFLATPELSIIHCDLKPENILLCNPKRSAIKIVDFGSSCQLGQRIYQYIQSRFYRSPEVLLGMPYDLAIDMWSLGCILVEMHTGEPLFSGANEVDQMNKIVEVLGIPPAHILDQAPKARKFFEKLPDGTWNLKKTKDGKREYKPPGTRKLHNILGVETGGPGGRRAGESGHTVADYLKFKDLILRMLDYDPKTRIQPYYALQHSFFKKTADE
Non polymer #2
A1IFO
InChI=1S/C20H19N7OS/c21-18(28)13-3-1-2-11(8-13)10-22-20-23-14-6-7-29-17(14)19(25-20)24-16-9-15(26-27-16)12-4-5-12/h1-3,6-9,12H,4-5,10H2,(H2,21,28)(H3,22,23,24,25,26,27)
InChI=1S/C20H19N7OS/c21-18(28)13-3-1-2-11(8-13)10-22-20-23-14-6-7-29-17(14)19(25-20)24-16-9-15(26-27-16)12-4-5-12/h1-3,6-9,12H,4-5,10H2,(H2,21,28)(H3,22,23,24,25,26,27)
SMILES: c1cc(cc(c1)C(=O)N)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5
c1cc(cc(c1)C(=O)N)CNc2nc3ccsc3c(n2)Nc4cc(n[nH]4)C5CC5
Biounit #1
monomer
Download coordinates
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Model
Reference
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