4CKU
Three dimensional structure of plasmepsin II in complex with hydroxyethylamine-based inhibitor
Summary for 4CKU
| Entry DOI | 10.2210/pdb4cku/pdb |
| Descriptor | PLASMEPSIN-2, 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide (3 entities in total) |
| Functional Keywords | hydrolase, malaria, drug design |
| Biological source | PLASMODIUM FALCIPARUM (MALARIA PARASITE P. FALCIPARUM) |
| Total number of polymer chains | 6 |
| Total formula weight | 225615.15 |
| Authors | Tars, K.,Leitans, J.,Jaudzems, K. (deposition date: 2014-01-08, release date: 2014-06-18, Last modification date: 2023-12-20) |
| Primary citation | Jaudzems, K.,Tars, K.,Maurops, G.,Ivdra, N.,Otikovs, M.,Leitans, J.,Kanepe-Lapsa, I.,Domraceva, I.,Mutule, I.,Trapencieris, P.,Blackman, M.J.,Jirgensons, A. Plasmepsin Inhibitory Activity and Structure-Guided Optimization of a Potent Hydroxyethylamine-Based Antimalarial Hit. Acs Med.Chem.Lett., 5:373-, 2014 Cited by PubMed: 24900843DOI: 10.1021/ML4004952 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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