2026-06-06_00000017|ligand|13LV

Structure of PKMYT1 bound to allosteric inhibitor P29-(S); X-ray diffraction 2.22Å
Protein #1 293 residues (98% resolved)

GPGSMHQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQP

GPGSMHQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQP
Non polymer #2 A1DG4

InChI=1S/C17H19N3O2/c21-13-7-5-11(6-8-13)14-9-16(22)19-17-15(14)10-18-20(17)12-3-1-2-4-12/h5-8,10,12,14,21H,1-4,9H2,(H,19,22)/t14-/m0/s1

c1cc(ccc1[C@@H]2CC(=O)Nc3c2cnn3C4CCCC4)O
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Reference