2026-10-24_00000436|ligand|9YUB

The crystal structure of human abl1 T315I mutant kinase domain in complex with PH-ELV-1022; X-ray diffraction 2.10Å
Protein #1 290 residues (93% resolved)

GAMDPSSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIIIEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDT(PTR)TAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGK

GAMDPSSPNYDKWEMERTDITMKHKLGGGQYGEVYEGVWKKYSLTVAVKTLKEDTMEVEEFLKEAAVMKEIKHPNLVQLLGVCTREPPFYIIIEFMTYGNLLDYLRECNRQEVNAVVLLYMATQISSAMEYLEKKNFIHRDLAARNCLVGENHLVKVADFGLSRLMTGDTYTAHAGAKFPIKWTAPESLAYNKFSIKSDVWAFGVLLWEIATYGMSPYPGIDLSQVYELLEKDYRMERPEGCPEKVYELMRACWQWNPSDRPSFAEIHQAFETMFQESSISDEVEKELGK
Non polymer #2 A1CZ6

InChI=1S/C18H18FN5O3/c1-24-12(15-17(26-2)21-8-22-18(15)27-3)4-9-5-14(20-7-13(9)24)23-16(25)10-6-11(10)19/h4-5,7-8,10-11H,6H2,1-3H3,(H,20,23,25)/t10-,11+/m1/s1

Cn1c(cc2c1cnc(c2)NC(=O)[C@@H]3C[C@@H]3F)c4c(ncnc4OC)OC
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Reference