5ICP

CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone

Summary for 5ICP

Related5HBN
DescriptorCyclin-dependent kinase 8, Cyclin-C, [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone, ... (6 entities in total)
Functional Keywordscdk8 kinase / cyclin c, transferase
Biological sourceHomo sapiens (Human)
Cellular locationNucleus  P49336 P24863
Total number of polymer chains2
Total molecular weight75155.68
Authors
Musil, D.,Blagg, J.,Mallinger, A.,Czodrowski, P.,Schiemann, K. (deposition date: 2016-02-23, release date: 2016-12-21)
Primary citation
Czodrowski, P.,Mallinger, A.,Wienke, D.,Esdar, C.,Poschke, O.,Busch, M.,Rohdich, F.,Eccles, S.A.,Ortiz-Ruiz, M.J.,Schneider, R.,Raynaud, F.I.,Clarke, P.A.,Musil, D.,Schwarz, D.,Dale, T.,Urbahns, K.,Blagg, J.,Schiemann, K.
Structure-Based Optimization of Potent, Selective, and Orally Bioavailable CDK8 Inhibitors Discovered by High-Throughput Screening.
J. Med. Chem., 59:9337-9349, 2016
PubMed: 27490956 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.6b00597
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.18 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.230200.2%2.8%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution