2024-12-28_00000063|ligand|8XKP

Crystal structure of human tyrosine-protein kinase Fes/Fps in complex with compound 17c; X-ray diffraction 2.05Å
Protein #1 375 residues (99% resolved)

GPEVQKPLHEQLWYHGAIPRAEVAELLVHSGDFLVRESQGKQEYVLSVLWDGLPRHFIIQSLDNLYRLEGEGFPSIPLLIDHLLSTQQPLTKKSGVVLHRAVPKDKWVLNHEDLVLGEQIGRGNFGEVFSGRLRADNTLVAVKSCRETLPPDLKAKFLQEARILKQYSHPNIVRLIGVCTQKQPIYIVMELVQGGDFLTFLRTEGARLRVKTLLEMVGDAAAGMEYLESKCCIHRDLAARNCLVTEKNVLKISDFGMSREEADGVYAASGGLRQVPVKWTAPEALNYGRYSSESDVWSFGILLWETFSLGASPYPNLSNQQTREFVEKGGRLPCPELCPDAVFRLMEQCWAYEPGQRPSFSTIYQELQSIRKRHR

GPEVQKPLHEQLWYHGAIPRAEVAELLVHSGDFLVRESQGKQEYVLSVLWDGLPRHFIIQSLDNLYRLEGEGFPSIPLLIDHLLSTQQPLTKKSGVVLHRAVPKDKWVLNHEDLVLGEQIGRGNFGEVFSGRLRADNTLVAVKSCRETLPPDLKAKFLQEARILKQYSHPNIVRLIGVCTQKQPIYIVMELVQGGDFLTFLRTEGARLRVKTLLEMVGDAAAGMEYLESKCCIHRDLAARNCLVTEKNVLKISDFGMSREEADGVYAASGGLRQVPVKWTAPEALNYGRYSSESDVWSFGILLWETFSLGASPYPNLSNQQTREFVEKGGRLPCPELCPDAVFRLMEQCWAYEPGQRPSFSTIYQELQSIRKRHR
Non polymer #2 A1LWS

InChI=1S/C26H32N8O2/c1-15-13-34(14-16(2)36-15)18-7-5-6-17(10-18)30-25-23-20(12-29-33-26(23)35)19(11-27)24(32-25)31-22-9-4-3-8-21(22)28/h5-7,10,12,15-16,21-22H,3-4,8-9,13-14,28H2,1-2H3,(H,33,35)(H2,30,31,32)/t15-,16+,21-,22+/m0/s1

C[C@@H]1CN(C[C@@H](O1)C)c2cccc(c2)Nc3c4c(c(c(n3)N[C@@H]5CCCC[C@@H]5N)C#N)C=NNC4=O
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Reference