2026-02-14_00000550
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ligand
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9Y9N
PLK4 in complex with Compound 25 ((R)-7-hydroxy-N-(3-(1-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide);
X-ray diffraction 1.81Å
Protein #1
266 residues (85% resolved)
Raw Sequence ...
CIGEKIEDFKVGNLLGKGSFAGVYRAESIHTGLEVAIKMIDKKAMYKAGMVQRVQNEVKIHCQLKHPSILELYNYFEDSNYVYLVLEMCHNGEMNRYLKNRVKPFSENEARHFMHQIITGMLYLHSHGILHRDLTLSNLLLTRNMNIKIADFGLATQLKMPHEKHYDLCGTPNYISPEIATRSAHGLESDVWSLGCMFYTLLIGRPPFDTDTVKNTLNKVVLADYEMPSFLSIEAKDLIHQLLRRNPADRLSLSSVLDHPFMSRNS
Canonical Sequence ...
CIGEKIEDFKVGNLLGKGSFAGVYRAESIHTGLEVAIKMIDKKAMYKAGMVQRVQNEVKIHCQLKHPSILELYNYFEDSNYVYLVLEMCHNGEMNRYLKNRVKPFSENEARHFMHQIITGMLYLHSHGILHRDLTLSNLLLTRNMNIKIADFGLATQLKMPHEKHYDLCGTPNYISPEIATRSAHGLESDVWSLGCMFYTLLIGRPPFDTDTVKNTLNKVVLADYEMPSFLSIEAKDLIHQLLRRNPADRLSLSSVLDHPFMSRNS
Non polymer #2
A1CTV
InChI=1S/C20H19F6N7O2/c21-19(22,23)10-33-14-5-12(27-6-11(14)7-29-33)15-13(8-28-31-15)30-16(34)32-4-3-18(35,20(24,25)26)9-17(32)1-2-17/h5-8,35H,1-4,9-10H2,(H,28,31)(H,30,34)/t18-/m1/s1
InChI=1S/C20H19F6N7O2/c21-19(22,23)10-33-14-5-12(27-6-11(14)7-29-33)15-13(8-28-31-15)30-16(34)32-4-3-18(35,20(24,25)26)9-17(32)1-2-17/h5-8,35H,1-4,9-10H2,(H,28,31)(H,30,34)/t18-/m1/s1
SMILES: c1c2c(cnc1c3c(cn[nH]3)NC(=O)N4CC[C@@](CC45CC5)(C(F)(F)F)O)cnn2CC(F)(F)F
c1c2c(cnc1c3c(cn[nH]3)NC(=O)N4CC[C@@](CC45CC5)(C(F)(F)F)O)cnn2CC(F)(F)F
Biounit #1
monomer
Download coordinates
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Model
Reference
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