2026-07-25_00000374|ligand|9Z6D

Crystal structure of LIMK1 mutant D460N bound to small molecule inhibitor cLIMK1i; X-ray diffraction 1.94Å
Protein #1 313 residues (91% resolved)

GRPHRIFRPSDLIHGEVLGKGCFGQAIKVTHRETGEVMVMKELIRFDEETQRTFLKEVKVMRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGTLRGIIKSMDSQYPWSQRVSFAKDIASGMAYLHSMNIIHRNLNSHNCLVRENKNVVVADFGLARLMVDEKTQPEGLRSLKKPDRKKRYTVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLCEIIGRVNADPDYLPRTMDFGLNVRGFLDRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKLEHWLETLRMHLAGHLPLGPQLEQLDRGFWETYRRGESGLP

GRPHRIFRPSDLIHGEVLGKGCFGQAIKVTHRETGEVMVMKELIRFDEETQRTFLKEVKVMRCLEHPNVLKFIGVLYKDKRLNFITEYIKGGTLRGIIKSMDSQYPWSQRVSFAKDIASGMAYLHSMNIIHRNLNSHNCLVRENKNVVVADFGLARLMVDEKTQPEGLRSLKKPDRKKRYTVVGNPYWMAPEMINGRSYDEKVDVFSFGIVLCEIIGRVNADPDYLPRTMDFGLNVRGFLDRYCPPNCPPSFFPITVRCCDLDPEKRPSFVKLEHWLETLRMHLAGHLPLGPQLEQLDRGFWETYRRGESGLP
Non polymer #2 A1C13

InChI=1S/C21H17F3N4O/c1-3-19(29)26-16-6-4-14(5-7-16)15-10-13(2)11-17(12-15)27-20-25-9-8-18(28-20)21(22,23)24/h3-12H,1H2,2H3,(H,26,29)(H,25,27,28)

Cc1cc(cc(c1)Nc2nccc(n2)C(F)(F)F)c3ccc(cc3)NC(=O)C=C
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Reference