2026-04-04_00000278
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ligand
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9UAW
LL-DA-4-cdk2 protein;
X-ray diffraction 1.72Å
Protein #1
303 residues (98% resolved)
Raw Sequence ...
GPLGSMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Canonical Sequence ...
GPLGSMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Non polymer #2
A1EOO
InChI=1S/C18H25N9O3S/c1-31(29,30)26-7-3-14(4-8-26)24-18-23-11-13-9-12(10-19)16(28)27(15(13)25-18)6-2-5-22-17(20)21/h9,11,14H,2-8H2,1H3,(H4,20,21,22)(H,23,24,25)
InChI=1S/C18H25N9O3S/c1-31(29,30)26-7-3-14(4-8-26)24-18-23-11-13-9-12(10-19)16(28)27(15(13)25-18)6-2-5-22-17(20)21/h9,11,14H,2-8H2,1H3,(H4,20,21,22)(H,23,24,25)
SMILES: [H]/N=C(\N)/NCCCN1c2c(cnc(n2)NC3CCN(CC3)S(=O)(=O)C)C=C(C1=O)C#N
[H]/N=C(\N)/NCCCN1c2c(cnc(n2)NC3CCN(CC3)S(=O)(=O)C)C=C(C1=O)C#N
Biounit #1
monomer
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Model
Reference
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