8C4W

Crystal structure of rat autotaxin and compound MEY-002

Summary for 8C4W

Entry DOI	10.2210/pdb8c4w/pdb
Descriptor	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, CALCIUM ION, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (11 entities in total)
Functional Keywords	inhibitor, co-crystal, ectonucleotide pyrophosphatase/phosphodiesterase (enpp), hydrolase
Biological source	Rattus norvegicus (Norway rat)
Total number of polymer chains	1
Total formula weight	102164.74
Authors	Eymery, M.C.,McCarthy, A.A. (deposition date: 2023-01-05, release date: 2023-11-22, Last modification date: 2023-11-29)
Primary citation	Eymery, M.C.,Nguyen, K.A.,Basu, S.,Hausmann, J.,Tran-Nguyen, V.K.,Seidel, H.P.,Gutierrez, L.,Boumendjel, A.,McCarthy, A.A. Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids. Eur.J.Med.Chem., 263:115944-115944, 2023 Cited by PubMed: 37976710 DOI: 10.1016/j.ejmech.2023.115944 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation