7CTW

Wild-type Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with fragment 820, NADPH, dUMP

7CTW の概要

• エントリーDOI: 10.2210/pdb7ctw/pdb
• 分子名称: Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-(2-methylsulfanylphenyl)piperazine, ... (5 entities in total)
• 機能のキーワード: anti-folate, anti-malarial, plasmodium falciparum, dihydrofolate reductase, fragment, antibiotic, oxidoreductase
• 由来する生物種: Plasmodium falciparum (malaria parasite P. falciparum)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 145450.14

構造登録者

Vanichtanankul, J.,Vitsupakorn, D. (登録日: 2020-08-20, 公開日: 2021-04-28, 最終更新日: 2023-11-29)

• 主引用文献: Hoarau, M.,Vanichtanankul, J.,Srimongkolpithak, N.,Vitsupakorn, D.,Yuthavong, Y.,Kamchonwongpaisan, S.; Discovery of new non-pyrimidine scaffolds as Plasmodium falciparum DHFR inhibitors by fragment-based screening.; J Enzyme Inhib Med Chem, 36:198-206, 2021; PubMed: 33530764; DOI: 10.1080/14756366.2020.1854244

実験手法

X-RAY DIFFRACTION (2.51 Å)