2025-03-15_00000106
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ligand
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8YNG
CDK2 and compounds and inhibors;
X-ray diffraction 1.82Å
Protein #1
301 residues (98% resolved)
Raw Sequence ...
LGSMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTEEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Canonical Sequence ...
LGSMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTEEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Non polymer #2
A1D6S
InChI=1S/C20H27N7O3S/c1-25-7-5-17(6-8-25)27-18-15(11-14(12-21)19(27)28)13-22-20(24-18)23-16-3-9-26(10-4-16)31(2,29)30/h11,13,16-17H,3-10H2,1-2H3,(H,22,23,24)
InChI=1S/C20H27N7O3S/c1-25-7-5-17(6-8-25)27-18-15(11-14(12-21)19(27)28)13-22-20(24-18)23-16-3-9-26(10-4-16)31(2,29)30/h11,13,16-17H,3-10H2,1-2H3,(H,22,23,24)
SMILES: CN1CCC(CC1)N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C#N
CN1CCC(CC1)N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C#N
Biounit #1
monomer
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Model
Reference
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