1Y91

Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor

Summary for 1Y91

Related1Y8Y
DescriptorCell division protein kinase 2, 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE (3 entities in total)
Functional Keywordsserine/threonine protein kinase, cdk2, atp-binding, cell cycle, mitosis, phosphorylation, pyrazolopyrimidine inhibitor, transferase
Biological sourceHomo sapiens (human)
Total number of polymer chains1
Total molecular weight34448.11
Authors
Primary citation
Williamson, D.S.,Parratt, M.J.,Bower, J.F.,Moore, J.D.,Richardson, C.M.,Dokurno, P.,Cansfield, A.D.,Francis, G.L.,Hebdon, R.J.,Howes, R.,Jackson, P.S.,Lockie, A.M.,Murray, J.B.,Nunns, C.L.,Powles, J.,Robertson, A.,Surgenor, A.E.,Torrance, C.J.
Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Bioorg.Med.Chem.Lett., 15:863-867, 2005
PubMed: 15686876 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2004.12.073
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.15 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.295231.8%14.6%5.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report