CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor

Summary for 3EJ1

DescriptorCell division protein kinase 2, Cyclin-A2, N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (3 entities in total)
Functional Keywordscdk, cyclin, kinase, atp-binding, cell cycle, cell division, mitosis, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase, nucleus, transferase-cell cycle complex, transferase/cell cycle
Biological sourceHomo sapiens (human)
Total number of polymer chains4
Total molecular weight128192.55
Stevens, K.,Reno, M.,Alberti, J.,Price, D.,Kane-Carson, L.,Knick, V.,Shewchuk, L.,Hassell, A.,Veal, J.,Peel, M. (deposition date: 2008-09-17, release date: 2008-10-21, Last modification date: 2019-07-24)
Primary citation
Stevens, K.L.,Reno, M.J.,Alberti, J.B.,Price, D.J.,Kane-Carson, L.S.,Knick, V.B.,Shewchuk, L.M.,Hassell, A.M.,Veal, J.M.,Davis, S.T.,Griffin, R.J.,Peel, M.R.
Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18:5758-5762, 2008
PubMed: 18835709 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2008.09.069
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2565 0.5% 0.4% 0.9%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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