5M0S
Structure-based evolution of a hybrid steroid series of Autotaxin inhibitors
Summary for 5M0S
Entry DOI | 10.2210/pdb5m0s/pdb |
Descriptor | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-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, CALCIUM ION, ... (10 entities in total) |
Functional Keywords | medicinal chemistry, structure based design, autotaxin, hydrolase |
Biological source | Rattus norvegicus (Norway Rat) |
Total number of polymer chains | 1 |
Total formula weight | 100177.73 |
Authors | Keune, W.-J.,Heidebrecht, T.,Perrakis, A. (deposition date: 2016-10-05, 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: 28165241DOI: 10.1021/acs.jmedchem.6b01743 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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