2025-05-03_00000131
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ligand
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9IWY
Crystal structure of the mouse RIP3 kinase domain in complexed with LK01003;
X-ray diffraction 2.52Å
Protein #1
325 residues (77% resolved)
Raw Sequence ...
MSSVKLWPTGASAVPLVSREELKKLEFVGKGGFGVVFRAHHRTWNHDVAVKIVNSKKISWEVKAMVNLRNENVLLLLGVTEDLQWDFVSGQALVTRFMENGSLAGLLQPEAPRPWPLLCRLLQEVVLGMCYLHSLDPPLLHRDLKPSNILLDPELHAKLADFGLSTFQGGSQSGSGSGSGSRDSGGTLAYLDPELLFKVNLKASKASDVYSFGILVWAVLAGREAELVDKTSLIRETVCDRQSRPPLTELPPGSPETPGLEKLKELMIHCWGSQSENRPSFQDCEPKTNEVYNLVKDKVDAAVSEVKHYLSQHLEHHHHHHHHHH
Canonical Sequence ...
MSSVKLWPTGASAVPLVSREELKKLEFVGKGGFGVVFRAHHRTWNHDVAVKIVNSKKISWEVKAMVNLRNENVLLLLGVTEDLQWDFVSGQALVTRFMENGSLAGLLQPEAPRPWPLLCRLLQEVVLGMCYLHSLDPPLLHRDLKPSNILLDPELHAKLADFGLSTFQGGSQSGSGSGSGSRDSGGTLAYLDPELLFKVNLKASKASDVYSFGILVWAVLAGREAELVDKTSLIRETVCDRQSRPPLTELPPGSPETPGLEKLKELMIHCWGSQSENRPSFQDCEPKTNEVYNLVKDKVDAAVSEVKHYLSQHLEHHHHHHHHHH
Non polymer #2
A1D97
InChI=1S/C24H25N3O2S2/c1-15(2)31(28,29)18-8-9-20-19(14-18)21(11-12-25-20)26-17-7-10-23-22(13-17)27-24(30-23)16-5-3-4-6-16/h7-16H,3-6H2,1-2H3,(H,25,26)
InChI=1S/C24H25N3O2S2/c1-15(2)31(28,29)18-8-9-20-19(14-18)21(11-12-25-20)26-17-7-10-23-22(13-17)27-24(30-23)16-5-3-4-6-16/h7-16H,3-6H2,1-2H3,(H,25,26)
SMILES: CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3ccc4c(c3)nc(s4)C5CCCC5
CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc3ccc4c(c3)nc(s4)C5CCCC5
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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