8DSR

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

Summary for 8DSR

• Entry DOI: 10.2210/pdb8dsr/pdb
• Descriptor: 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)
• Functional Keywords: plasmepsin x, plasmodium falciparum, pm10, pmx, hydrolase
• Biological source: Plasmodium falciparum 3D7
• Total number of polymer chains: 2
• Total formula weight: 106466.97

Authors

Abendroth, J.,Lorimer, D.D. (deposition date: 2022-07-22, release date: 2022-10-19, Last modification date: 2023-10-25)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.85 Å)