2026-08-29_00000033|ligand|12CV

Crystal Structure of human JNK1 Kinase Domain in complex with inhibitor CCD-2728; X-ray diffraction 1.50Å
Protein #1 358 residues (99% resolved)

RDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDL

RDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDL
Non polymer #2 A1DBX

InChI=1S/C25H22N4O3S/c1-29(2)25(32)19-11-16(6-7-20(19)30)28-24(31)22-12-18-17(4-3-5-21(18)33-22)15-10-14-8-9-26-23(14)27-13-15/h3-11,13,30,33H,12H2,1-2H3,(H,26,27)(H,28,31)

CN(C)C(=O)c1cc(ccc1O)NC(=O)C2=Sc3cccc(c3C2)c4cc5cc[nH]c5nc4
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Reference