5M0E

Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors

Summary for 5M0E

Entry DOI	10.2210/pdb5m0e/pdb
Descriptor	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, GLYCEROL, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (11 entities in total)
Functional Keywords	medicinal chemistry, structure based design, autotaxin, hydrolase
Biological source	Rattus norvegicus (Rat)
Total number of polymer chains	1
Total formula weight	99948.59
Authors	Keune, W.-J.,Heidebrecht, T.,Perrakis, A. (deposition date: 2016-10-04, release date: 2017-08-16, Last modification date: 2024-01-17)
Primary citation	Keune, W.J.,Potjewyd, F.,Heidebrecht, T.,Salgado-Polo, F.,Macdonald, S.J.,Chelvarajan, L.,Abdel Latif, A.,Soman, S.,Morris, A.J.,Watson, A.J.,Jamieson, C.,Perrakis, A. Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators. J. Med. Chem., 60:2006-2017, 2017 Cited by PubMed: 28165241 DOI: 10.1021/acs.jmedchem.6b01743 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation