4K3N
Phosphonic Arginine Mimetics as Inhibitors of the M17 Aminopeptidases from Plasmodium falciparum
Summary for 4K3N
| Entry DOI | 10.2210/pdb4k3n/pdb |
| Descriptor | M17 leucyl aminopeptidase, ZINC ION, CARBONATE ION, ... (8 entities in total) |
| Functional Keywords | aminopeptidase, leucyl aminopeptidase, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Plasmodium falciparum 3D7 |
| Total number of polymer chains | 12 |
| Total formula weight | 724928.56 |
| Authors | McGowan, S. (deposition date: 2013-04-11, release date: 2013-06-12, Last modification date: 2023-09-20) |
| Primary citation | Kannan Sivaraman, K.,Paiardini, A.,Sienczyk, M.,Ruggeri, C.,Oellig, C.A.,Dalton, J.P.,Scammells, P.J.,Drag, M.,McGowan, S. Synthesis and Structure-Activity Relationships of Phosphonic Arginine Mimetics as Inhibitors of the M1 and M17 Aminopeptidases from Plasmodium falciparum. J.Med.Chem., 56:5213-5217, 2013 Cited by PubMed Abstract: The malaria parasite Plasmodium falciparum employs two metallo-aminopeptidases, PfA-M1 and PfA-M17, which are essential for parasite survival. Compounds that inhibit the activity of either enzyme represent leads for the development of new antimalarial drugs. Here we report the synthesis and structure-activity relationships of a small library of phosphonic acid arginine mimetics that probe the S1 pocket of both enzymes and map the necessary interactions that would be important for a dual inhibitor. PubMed: 23713488DOI: 10.1021/jm4005972 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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