5M0S

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

5M0S の概要

• エントリーDOI: 10.2210/pdb5m0s/pdb
• 分子名称: 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)
• 機能のキーワード: medicinal chemistry, structure based design, autotaxin, hydrolase
• 由来する生物種: Rattus norvegicus (Norway Rat)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 100177.73

構造登録者

Keune, W.-J.,Heidebrecht, T.,Perrakis, A. (登録日: 2016-10-05, 公開日: 2017-08-16, 最終更新日: 2024-01-17)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.1 Å)