4ELB

Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase

4ELB の概要

• エントリーDOI: 10.2210/pdb4elb/pdb
• 関連するPDBエントリー: 3ELE 3ELF 3FL8 3FL9 4ELG 4ELH
• 分子名称: Dihydrofolate reductase, CALCIUM ION, CHLORIDE ION, ... (6 entities in total)
• 機能のキーワード: dihydrofolate reductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Bacillus anthracis (anthrax,anthrax bacterium)
• タンパク質・核酸の鎖数: 8
• 化学式量合計: 162733.69

構造登録者

Bourne, C.R.,Barrow, W.W. (登録日: 2012-04-10, 公開日: 2013-02-13, 最終更新日: 2023-09-13)

主引用文献

Bourne, C.R.,Wakeham, N.,Nammalwar, B.,Tseitin, V.,Bourne, P.C.,Barrow, E.W.,Mylvaganam, S.,Ramnarayan, K.,Bunce, R.A.,Berlin, K.D.,Barrow, W.W.
Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase.
Biochim.Biophys.Acta, 1834:46-52, 2013

PubMed Abstract: Bacterial resistance to antibiotic therapies is increasing and new treatment options are badly needed. There is an overlap between these resistant bacteria and organisms classified as likely bioterror weapons. For example, Bacillus anthracis is innately resistant to the anti-folate trimethoprim due to sequence changes found in the dihydrofolate reductase enzyme. Development of new inhibitors provides an opportunity to enhance the current arsenal of anti-folate antibiotics while also expanding the coverage of the anti-folate class.

PubMed: 22999981
DOI: 10.1016/j.bbapap.2012.09.001

実験手法

X-RAY DIFFRACTION (2.6 Å)