1W8C

CO-CRYSTAL STRUCTURE OF 6-CYCLOHEXYLMETHOXY-8-ISOPROPYL-9H-PURIN-2- YLAMINE AND MONOMERIC CDK2

Summary for 1W8C

Related4CFM 4CFN 4CFU 4CFV 4CFW 4CFX
DescriptorCELL DIVISION PROTEIN KINASE 2, 6-(CYCLOHEXYLMETHOXY)-8-ISOPROPYL-9H-PURIN-2-AMINE (3 entities in total)
Functional Keywordstransferase, cell cycle, phosphorylation, mitosis, inhibition, cell division
Biological sourceHOMO SAPIENS (HUMAN)
Total number of polymer chains1
Total molecular weight34323.9
Authors
Pratt, D.J.,Endicott, J.A.,Noble, M.E.M. (deposition date: 2004-09-20, release date: 2006-08-30, Last modification date: 2019-03-06)
Primary citation
Carbain, B.,Paterson, D.J.,Anscombe, E.,Campbell-Dexter, A.,Cano, C.,Echalier, A.,Endicott, J.,Golding, B.T.,Haggerty, K.,Hardcastle, I.R.,Jewsbury, P.J.,Newell, D.R.,Noble, M.,Roche, C.,Wang, L.,Griffin, R.J.
8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode.
J.Med.Chem., 57:56-, 2014
PubMed: 24304238 (PDB entries with the same primary citation)
DOI: 10.1021/JM401555V
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.05 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.23670 4.3% 7.2%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation report