2024-09-07_00000265
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ligand
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8ZUD
Crystal Structure of Human Myt1 Kinase domain Bounded with compound 8f;
X-ray diffraction 1.51Å
Protein #1
287 residues (98% resolved)
Raw Sequence ...
HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ
Canonical Sequence ...
HQLQPRRVSFRGEASETLQSPGYDPSRPESFFQQSFQRLSRLGHGSYGEVFKVRSKEDGRLYAVKRSMSPFRGPKDRARKLAEVGSHEKVGQHPCCVRLEQAWEEGGILYLQTELCGPSLQQHCEAWGASLPEAQVWGYLRDTLLALAHLHSQGLVHLDVKPANIFLGPRGRCKLGDFGLLVELGTAGAGEVQEGDPRYMAPELLQGSYGTAADVFSLGLTILEVACNMELPHGGEGWQQLRQGYLPPEFTAGLSSELRSVLVMMLEPDPKLRATAEALLALPVLRQ
Non polymer #2
A1D82
InChI=1S/C24H26N4O3/c1-14-3-4-20(29)15(2)22(14)18-11-17(12-19(23(18)25)24(26)30)16-5-6-27-21(13-16)28-7-9-31-10-8-28/h3-6,11-13,29H,7-10,25H2,1-2H3,(H2,26,30)
InChI=1S/C24H26N4O3/c1-14-3-4-20(29)15(2)22(14)18-11-17(12-19(23(18)25)24(26)30)16-5-6-27-21(13-16)28-7-9-31-10-8-28/h3-6,11-13,29H,7-10,25H2,1-2H3,(H2,26,30)
SMILES: Cc1ccc(c(c1c2cc(cc(c2N)C(=O)N)c3ccnc(c3)N4CCOCC4)C)O
Cc1ccc(c(c1c2cc(cc(c2N)C(=O)N)c3ccnc(c3)N4CCOCC4)C)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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