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 Cited by PubMed: 36216349DOI: 10.1021/acs.jmedchem.2c01336 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.85 Å) |
Structure validation
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