5HBH

CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide

Summary for 5HBH

DescriptorCyclin-dependent kinase 8, Cyclin-C, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, ... (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 weight75244.87
Authors
Musil, D.,Blagg, J.,Mallinger, A. (deposition date: 2015-12-31, release date: 2016-02-03, Last modification date: 2016-02-24)
Primary citation
Mallinger, A.,Schiemann, K.,Rink, C.,Stieber, F.,Calderini, M.,Crumpler, S.,Stubbs, M.,Adeniji-Popoola, O.,Poeschke, O.,Busch, M.,Czodrowski, P.,Musil, D.,Schwarz, D.,Ortiz-Ruiz, M.J.,Schneider, R.,Thai, C.,Valenti, M.,de Haven Brandon, A.,Burke, R.,Workman, P.,Dale, T.,Wienke, D.,Clarke, P.A.,Esdar, C.,Raynaud, F.I.,Eccles, S.A.,Rohdich, F.,Blagg, J.
Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19.
J.Med.Chem., 59:1078-1101, 2016
PubMed: 26796641 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.5b01685
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.5 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.28160.5%1.6%3.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution