4XYC

NANOMOLAR INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE 1: SYNTHESIS, BIOLOGICAL EVALUATION AND X-RAY CRYSTALLOGRAPHIC STUDIES

4XYC の概要

• エントリーDOI: 10.2210/pdb4xyc/pdb
• 分子名称: Glutamine synthetase 1, 9-phenyl-4H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one (2 entities in total)
• 機能のキーワード: ligase, atp binding, ligase-ligase inhibitor complex, ligase/ligase inhibitor
• 由来する生物種: Mycobacterium tuberculosis
• 細胞内の位置: Cytoplasm : P9WN38
• タンパク質・核酸の鎖数: 24
• 化学式量合計: 1294200.89

構造登録者

Couturier, C.,Silve, S.,Morales, R.,Ppessegue, B.,Llopart, S.,Nair, A.,Bauer, A.,Scheiper, B.,poeverlein, c.,Ganzhorn, A.,Lagrange, S.,Bacque, E. (登録日: 2015-02-02, 公開日: 2015-03-25, 最終更新日: 2024-01-10)

主引用文献

Couturier, C.,Silve, S.,Morales, R.,Pessegue, B.,Llopart, S.,Nair, A.,Bauer, A.,Scheiper, B.,Poverlein, C.,Ganzhorn, A.,Lagrange, S.,Bacque, E.
Nanomolar inhibitors of Mycobacterium tuberculosis glutamine synthetase 1: Synthesis, biological evaluation and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 25:1455-1459, 2015

PubMed Abstract: A series of imidazo[1,2-a]indeno[1,2-e]pyrazin-4-ones that potently inhibit M. tuberculosis glutamine synthetase (GlnA1) has been identified by high throughput screening. Exploration of this series was performed owing to a short chemistry program. Despite possibly nanomolar inhibitions, none of these compounds was active on whole cell Mtb, suggesting that GlnA1 may not be a suitable target to find new anti-tubercular drugs.

PubMed: 25770781
DOI: 10.1016/j.bmcl.2015.02.035

実験手法

X-RAY DIFFRACTION (3.3 Å)