4K5N

Phosphonic Arginine Mimetics as Inhibitors of the M1 Aminopeptidases from Plasmodium falciparum

4K5N の概要

• エントリーDOI: 10.2210/pdb4k5n/pdb
• 関連するPDBエントリー: 4K3N 4K5L 4K5M 4K5O 4K5P
• 分子名称: M1 family aminopeptidase, ZINC ION, MAGNESIUM ION, ... (6 entities in total)
• 機能のキーワード: m1 alanyl-aminopeptidase, protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Plasmodium falciparum FcB1/Columbia
• 細胞内の位置: Cytoplasm: O96935
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 105027.21

構造登録者

McGowan, S. (登録日: 2013-04-15, 公開日: 2013-06-12, 最終更新日: 2023-09-20)

主引用文献

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

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: 23713488
DOI: 10.1021/jm4005972

実験手法

X-RAY DIFFRACTION (1.91 Å)