2025-11-29_00000072
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ligand
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9KQY
The co-crystal structure of DYRK2 with YK-3-18E;
X-ray diffraction 3.20Å
Protein #1
407 residues (95% resolved)
Raw Sequence ...
MGKVKATPMTPEQAMKQYMQKLTAFEHHEIFSYPEIYFLGLNAKKRQGMTGGPNNGGYDDDQGSYVQVPHDHVAYRYEVLKVIGKGSFGQVVKAYDHKVHQHVALKMVRNEKRFHRQAAEEIRILEHLRKQDKDNTMNVIHMLENFTFRNHICMTFELLSMNLYELIKKNKFQGFSLPLVRKFAHSILQCLDALHKNRIIHCDLKPENILLKQQGRSGIKVIDFGSSCYEHQRVYT(PTR)IQSRFYRAPEVILGARYGMPIDMWSLGCILAELLTGYPLLPGEDEGDQLACMIELLGMPSQKLLDASKRAKNFVSSKGYPRYCTVTTLSDGSVVLNGGRSRRGKLRGPPESREWGNALKGCDDPLFLDFLKQCLEWDPAVRMTPGQALRHPWLRRRLPKPPTGEKTSVKR
Canonical Sequence ...
MGKVKATPMTPEQAMKQYMQKLTAFEHHEIFSYPEIYFLGLNAKKRQGMTGGPNNGGYDDDQGSYVQVPHDHVAYRYEVLKVIGKGSFGQVVKAYDHKVHQHVALKMVRNEKRFHRQAAEEIRILEHLRKQDKDNTMNVIHMLENFTFRNHICMTFELLSMNLYELIKKNKFQGFSLPLVRKFAHSILQCLDALHKNRIIHCDLKPENILLKQQGRSGIKVIDFGSSCYEHQRVYTYIQSRFYRAPEVILGARYGMPIDMWSLGCILAELLTGYPLLPGEDEGDQLACMIELLGMPSQKLLDASKRAKNFVSSKGYPRYCTVTTLSDGSVVLNGGRSRRGKLRGPPESREWGNALKGCDDPLFLDFLKQCLEWDPAVRMTPGQALRHPWLRRRLPKPPTGEKTSVKR
Non polymer #2
A1L6I
InChI=1S/C28H33FN8OS/c1-5-35(6-2)28-32-22-9-7-19(15-23(22)39-28)25-21(29)17-31-27(34-25)33-24-10-8-20(16-30-24)26(38)37-13-11-36(12-14-37)18(3)4/h7-10,15-18H,5-6,11-14H2,1-4H3,(H,30,31,33,34)
InChI=1S/C28H33FN8OS/c1-5-35(6-2)28-32-22-9-7-19(15-23(22)39-28)25-21(29)17-31-27(34-25)33-24-10-8-20(16-30-24)26(38)37-13-11-36(12-14-37)18(3)4/h7-10,15-18H,5-6,11-14H2,1-4H3,(H,30,31,33,34)
SMILES: CCN(CC)c1nc2ccc(cc2s1)c3c(cnc(n3)Nc4ccc(cn4)C(=O)N5CCN(CC5)C(C)C)F
CCN(CC)c1nc2ccc(cc2s1)c3c(cnc(n3)Nc4ccc(cn4)C(=O)N5CCN(CC5)C(C)C)F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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