2026-03-21_00000032|ligand|23FW

Crystal structure of human PKMYT1 protein kinase domain with Naphthyridinone Inhibitor compound 16; X-ray diffraction 1.59Å
Protein #1 286 residues (99% resolved)

QLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ

QLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ
Non polymer #2 A1E5J

InChI=1S/C19H16FN5O2/c1-8-16-14(18-12(23-8)3-2-6-27-18)13(15(21)19(26)24-16)9-4-5-11(20)17-10(9)7-22-25-17/h4-5,7H,2-3,6,21H2,1H3,(H,22,25)(H,24,26)

Cc1c2c(c3c(n1)CCCO3)C(=C(C(=O)N2)N)c4ccc(c5c4cn[nH]5)F
Non polymer #3 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
Non polymer #4 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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Reference