8JFB

V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP

8JFB の概要

• エントリーDOI: 10.2210/pdb8jfb/pdb
• 分子名称: Bifunctional dihydrofolate reductase-thymidylate synthase, 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total)
• 機能のキーワード: dhfr, dihydrofolate reductase, plasmodium falciparum, malaria, 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: 146620.27

構造登録者

Vanichtanankul, J.,Saeyang, T.,Vitsupakorn, D.,Saepua, S.,Thongpanchang, C.,Yuthavong, Y.,Kamchonwongpaisan, S.,Hoarau, M. (登録日: 2023-05-17, 公開日: 2023-08-23, 最終更新日: 2023-10-04)

• 主引用文献: Hoarau, M.,Sermmai, P.,Varatthan, T.,Thiabma, R.,Jantra, T.,Rattanajak, R.,Vitsupakorn, D.,Vanichtanankul, J.,Saepua, S.,Yuthavong, Y.,Thongpanchang, C.,Kamchonwongpaisan, S.; Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy.; Rsc Med Chem, 14:1755-1766, 2023; PubMed: 37731689; DOI: 10.1039/d3md00242j

実験手法

X-RAY DIFFRACTION (2.65 Å)