5G5V

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038

5G5V の概要

• エントリーDOI: 10.2210/pdb5g5v/pdb
• 分子名称: PHOSPHODIESTERASE B1, ZINC ION, MAGNESIUM ION, ... (8 entities in total)
• 機能のキーワード: parasitic pde, african trypanosomiasis, sleeping sickness, hydrolase
• 由来する生物種: TRYPANOSOMA BRUCEI
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 83400.33

構造登録者

Singh, A.K.,Brown, D.G. (登録日: 2016-06-06, 公開日: 2018-03-14, 最終更新日: 2024-01-10)

• 主引用文献: Blaazer, A.R.,Singh, A.K.,de Heuvel, E.,Edink, E.,Orrling, K.M.,Veerman, J.J.N.,van den Bergh, T.,Jansen, C.,Balasubramaniam, E.,Mooij, W.J.,Custers, H.,Sijm, M.,Tagoe, D.N.A.,Kalejaiye, T.D.,Munday, J.C.,Tenor, H.,Matheeussen, A.,Wijtmans, M.,Siderius, M.,de Graaf, C.,Maes, L.,de Koning, H.P.,Bailey, D.S.,Sterk, G.J.,de Esch, I.J.P.,Brown, D.G.,Leurs, R.; Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.; J. Med. Chem., 61:3870-3888, 2018; PubMed: 29672041; DOI: 10.1021/acs.jmedchem.7b01670

実験手法

X-RAY DIFFRACTION (1.8 Å)