1R78
CDK2 complex with a 4-alkynyl oxindole inhibitor
Summary for 1R78
| Entry DOI | 10.2210/pdb1r78/pdb |
| Related | 1fvt 1p2a |
| Descriptor | Cell division protein kinase 2, 4-((3R,4S,5R)-4-AMINO-3,5-DIHYDROXY-HEX-1-YNYL)-5-FLUORO-3-[1-(3-METHOXY-1H-PYRROL-2-YL)-METH-(Z)-YLIDENE]-1,3-DIHYDRO-INDOL-2-ONE (3 entities in total) |
| Functional Keywords | cyclin dependent kinase, serine/threonine protein kinase, oxindole, transferase |
| Biological source | Homo sapiens (human) |
| Total number of polymer chains | 1 |
| Total formula weight | 34361.88 |
| Authors | Luk, K.-C.,Simcox, M.E.,Schutt, A.,Rowan, K.,Thompson, T.,Chen, Y.,Kammlott, U.,DePinto, W.,Dunten, P.,Dermatakis, A. (deposition date: 2003-10-20, release date: 2004-01-20, Last modification date: 2024-02-14) |
| Primary citation | Luk, K.-C.,Simcox, M.E.,Schutt, A.,Rowan, K.,Thompson, T.,Chen, Y.,Kammlott, U.,DePinto, W.,Dunten, P.,Dermatakis, A. A new series of potent oxindole inhibitors of CDK2 Bioorg.Med.Chem.Lett., 14:913-917, 2004 Cited by PubMed Abstract: A novel series of oxindole-type inhibitors of CDK2 that have heteroatom substituted alkynyl moieties at their C-4 position is described. These novel 4-alkynyl-substituted inhibitors have superior potency relative to their parent compound in free enzyme and in cell based assays. The crystal structure of CDK2 in complex with one of these analogues was determined and gives insight to their increased potency. The biochemical evaluation of a representative derivative is also described. PubMed: 15012993DOI: 10.1016/j.bmcl.2003.12.009 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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