7NB3

Crystal structure of human choline alpha in complex with an inhibitor

This is a non-PDB format compatible entry.

Summary for 7NB3

• Entry DOI: 10.2210/pdb7nb3/pdb
• Descriptor: Choline kinase alpha, 4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: transferase, phosphatidylcholine, inhibitor complex
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 91673.55

Authors

Casale, E.,Fasolini, M. (deposition date: 2021-01-25, release date: 2021-10-13, Last modification date: 2024-01-31)

• Primary citation: Quartieri, F.,Nesi, M.,Avanzi, N.R.,Borghi, D.,Casale, E.,Corti, E.,Cucchi, U.,Donati, D.,Fasolini, M.,Felder, E.R.,Galvani, A.,Giorgini, M.L.,Lomolino, A.,Menichincheri, M.,Orrenius, C.,Perrera, C.,Re Depaolini, S.,Riccardi-Sirtori, F.,Salsi, E.,Isacchi, A.,Gnocchi, P.; Identification of unprecedented ATP-competitive choline kinase inhibitors.; Bioorg.Med.Chem.Lett., 51:128310-128310, 2021; PubMed: 34416377; DOI: 10.1016/j.bmcl.2021.128310

Experimental method

X-RAY DIFFRACTION (2 Å)