6D4T

M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 45 (VCC117054)

6D4T の概要

• エントリーDOI: 10.2210/pdb6d4t/pdb
• 分子名称: Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, INOSINIC ACID, (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide, ... (4 entities in total)
• 機能のキーワード: complex, fragment, impdh, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Mycobacterium thermoresistibile; 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 40657.18

構造登録者

Ascher, D.B.,Pacitto, A.,Blundell, T.L. (登録日: 2018-04-18, 公開日: 2019-05-01, 最終更新日: 2023-10-04)

• 主引用文献: Singh, V.,Pacitto, A.,Donini, S.,Ferraris, D.M.,Boros, S.,Illyes, E.,Szokol, B.,Rizzi, M.,Blundell, T.L.,Ascher, D.B.,Pato, J.,Mizrahi, V.; Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.; Eur.J.Med.Chem., 174:309-329, 2019; PubMed: 31055147; DOI: 10.1016/j.ejmech.2019.04.027

実験手法

X-RAY DIFFRACTION (1.54 Å)