2025-09-20_00000000
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ligand
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8YPW
CDK2 and small molecular inhibitor L14;
X-ray diffraction 1.80Å
Protein #1
303 residues (98% resolved)
Raw Sequence ...
GPLGSMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Canonical Sequence ...
GPLGSMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Non polymer #2
A1D6Z
InChI=1S/C27H34F2N6O7S/c1-3-43(40,41)35-12-8-17(9-13-35)31-27(39)25-20(15-30-33-25)32-26(38)23-19(28)5-4-18(24(23)29)16-6-10-34(11-7-16)21(36)14-22(37)42-2/h4-5,15-17H,3,6-14H2,1-2H3,(H,30,33)(H,31,39)(H,32,38)
InChI=1S/C27H34F2N6O7S/c1-3-43(40,41)35-12-8-17(9-13-35)31-27(39)25-20(15-30-33-25)32-26(38)23-19(28)5-4-18(24(23)29)16-6-10-34(11-7-16)21(36)14-22(37)42-2/h4-5,15-17H,3,6-14H2,1-2H3,(H,30,33)(H,31,39)(H,32,38)
SMILES: CCS(=O)(=O)N1CCC(CC1)NC(=O)c2c(c[nH]n2)NC(=O)c3c(ccc(c3F)C4CCN(CC4)C(=O)CC(=O)OC)F
CCS(=O)(=O)N1CCC(CC1)NC(=O)c2c(c[nH]n2)NC(=O)c3c(ccc(c3F)C4CCN(CC4)C(=O)CC(=O)OC)F
Biounit #1
monomer
Download coordinates
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Model
Reference
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