2026-08-29_00000031|ligand|11ZL

Crystal Structure of human JNK1 Kinase Domain in complex with inhibitor CCD-3013; X-ray diffraction 1.55Å
Protein #1 357 residues (99% resolved)

DNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDL

DNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDL
Non polymer #2 A1DA9

InChI=1S/C27H22N4O3S/c32-22-7-6-18(13-21(22)27(34)31-10-1-2-11-31)30-26(33)24-14-20-19(4-3-5-23(20)35-24)17-12-16-8-9-28-25(16)29-15-17/h3-9,12-15,32H,1-2,10-11H2,(H,28,29)(H,30,33)

c1cc(c2cc(sc2c1)C(=O)Nc3ccc(c(c3)C(=O)N4CCCC4)O)c5cc6cc[nH]c6nc5
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Reference