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

• Entry DOI: 10.2210/pdb5hbh/pdb
• Descriptor: Cyclin-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 Keywords: cdk8 kinase / cyclin c, transferase
• Biological source: Homo sapiens (Human); More
• Cellular location: Nucleus : P49336 P24863
• Total number of polymer chains: 2
• Total formula weight: 75244.87

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; DOI: 10.1021/acs.jmedchem.5b01685

Experimental method

X-RAY DIFFRACTION (2.5 Å)