6HMP

Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3)

Summary for 6HMP

• Entry DOI: 10.2210/pdb6hmp/pdb
• Descriptor: Casein kinase I isoform delta, 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, PHOSPHATE ION, ... (4 entities in total)
• Functional Keywords: kinase, photoswitchable inhibitor, complex, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 74110.92

Authors

Pichlo, C.,Schehr, M.,Charl, J.,Brunstein, E.,Peifer, C.,Baumann, U. (deposition date: 2018-09-12, release date: 2019-09-11, Last modification date: 2024-01-24)

• Primary citation: Schehr, M.,Ianes, C.,Weisner, J.,Heintze, L.,Muller, M.P.,Pichlo, C.,Charl, J.,Brunstein, E.,Ewert, J.,Lehr, M.,Baumann, U.,Rauh, D.,Knippschild, U.,Peifer, C.,Herges, R.; 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.; Photochem. Photobiol. Sci., 18:1398-1407, 2019; PubMed: 30924488; DOI: 10.1039/c9pp00010k

Experimental method

X-RAY DIFFRACTION (2.039 Å)