5HVY

CDK8/CYCC IN COMPLEX WITH COMPOUND 20

Summary for 5HVY

• Entry DOI: 10.2210/pdb5hvy/pdb
• Related: 5CEI
• Descriptor: Cyclin-dependent kinase 8, Cyclin-C, N-{(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-N'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea, ... (6 entities in total)
• Functional Keywords: transferase-transcription complex, transferase/transcription
• Biological source: Homo sapiens (Human); More
• Cellular location: Nucleus : P49336 P24863
• Total number of polymer chains: 2
• Total formula weight: 81412.44

Authors

Kiefer, J.R.,Schneider, E.V.,Maskos, K.,Bergeron, P.,Koehler, M. (deposition date: 2016-01-28, release date: 2016-04-20, Last modification date: 2024-03-06)

Primary citation

Bergeron, P.,Koehler, M.F.,Blackwood, E.M.,Bowman, K.,Clark, K.,Firestein, R.,Kiefer, J.R.,Maskos, K.,McCleland, M.L.,Orren, L.,Ramaswamy, S.,Salphati, L.,Schmidt, S.,Schneider, E.V.,Wu, J.,Beresini, M.
Design and Development of a Series of Potent and Selective Type II Inhibitors of CDK8.
Acs Med.Chem.Lett., 7:595-600, 2016

PubMed Abstract: Using Sorafenib as a starting point, a series of potent and selective inhibitors of CDK8 was developed. When cocrystallized with CDK8 and cyclin C, these compounds exhibit a Type-II (DMG-out) binding mode.

PubMed: 27326333
DOI: 10.1021/acsmedchemlett.6b00044

Experimental method

X-RAY DIFFRACTION (2.39 Å)