8DSR

Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362

8DSR の概要

• エントリーDOI: 10.2210/pdb8dsr/pdb
• 分子名称: Plasmepsin X, (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one (2 entities in total)
• 機能のキーワード: plasmepsin x, plasmodium falciparum, pm10, pmx, hydrolase
• 由来する生物種: Plasmodium falciparum 3D7
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 106466.97

構造登録者

Abendroth, J.,Lorimer, D.D. (登録日: 2022-07-22, 公開日: 2022-10-19, 最終更新日: 2023-10-25)

• 主引用文献: Lowe, M.A.,Cardenas, A.,Valentin, J.P.,Zhu, Z.,Abendroth, J.,Castro, J.L.,Class, R.,Delaunois, A.,Fleurance, R.,Gerets, H.,Gryshkova, V.,King, L.,Lorimer, D.D.,MacCoss, M.,Rowley, J.H.,Rosseels, M.L.,Royer, L.,Taylor, R.D.,Wong, M.,Zaccheo, O.,Chavan, V.P.,Ghule, G.A.,Tapkir, B.K.,Burrows, J.N.,Duffey, M.,Rottmann, M.,Wittlin, S.,Angulo-Barturen, I.,Jimenez-Diaz, M.B.,Striepen, J.,Fairhurst, K.J.,Yeo, T.,Fidock, D.A.,Cowman, A.F.,Favuzza, P.,Crespo-Fernandez, B.,Gamo, F.J.,Goldberg, D.E.,Soldati-Favre, D.,Laleu, B.,de Haro, T.; Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 .; J.Med.Chem., 65:14121-14143, 2022; PubMed: 36216349; DOI: 10.1021/acs.jmedchem.2c01336

実験手法

X-RAY DIFFRACTION (2.85 Å)