5IP6

Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with N-((tetrahydrofuran-3-yl)methyl)pyrrolidine-1-carboxamide at 1.93A resolution

5IP6 の概要

• エントリーDOI: 10.2210/pdb5ip6/pdb
• 分子名称: TetR-family transcriptional regulatory repressor protein, N-{[(3S)-oxolan-3-yl]methyl}pyrrolidine-1-carboxamide (3 entities in total)
• 機能のキーワード: ethr, transcription, represor, boosting effect
• 由来する生物種: Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23979.97

構造登録者

Blaszczyk, M.,Surade, S.,Nikiforov, P.O.,Abell, C.,Blundell, T.L. (登録日: 2016-03-09, 公開日: 2017-03-29, 最終更新日: 2024-01-10)

主引用文献

Nikiforov, P.O.,Blaszczyk, M.,Surade, S.,Boshoff, H.I.,Sajid, A.,Delorme, V.,Deboosere, N.,Brodin, P.,Baulard, A.R.,Barry, C.E.,Blundell, T.L.,Abell, C.
Fragment-Sized EthR Inhibitors Exhibit Exceptionally Strong Ethionamide Boosting Effect in Whole-Cell Mycobacterium tuberculosis Assays.
ACS Chem. Biol., 12:1390-1396, 2017

PubMed Abstract: Small-molecule inhibitors of the mycobacterial transcriptional repressor EthR have previously been shown to act as boosters of the second-line antituberculosis drug ethionamide. Fragment-based drug discovery approaches have been used in the past to make highly potent EthR inhibitors with ethionamide boosting activity both in vitro and ex vivo. Herein, we report the development of fragment-sized EthR ligands with nanomolar minimum effective concentration values for boosting the ethionamide activity in Mycobacterium tuberculosis whole-cell assays.

PubMed: 28314097
DOI: 10.1021/acschembio.7b00091

実験手法

X-RAY DIFFRACTION (1.93 Å)