5M0D

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

Summary for 5M0D

• Entry DOI: 10.2210/pdb5m0d/pdb
• Descriptor: Ectonucleotide pyrophosphatase/phosphodiesterase family member 2,Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, ... (10 entities in total)
• Functional Keywords: medicinal chemistry, structure based design, autotaxin, hydrolase
• Biological source: Rattus norvegicus (Rat); More
• Total number of polymer chains: 1
• Total formula weight: 98929.26

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; PubMed: 28165241; DOI: 10.1021/acs.jmedchem.6b01743

Experimental method

X-RAY DIFFRACTION (2.4 Å)