6HS0

EthR2 in complex with compound 5 (BDM71847)

6HS0 の概要

• エントリーDOI: 10.2210/pdb6hs0/pdb
• 分子名称: Probable transcriptional regulatory protein, 1-[(3-chlorophenyl)methyl]piperazine (3 entities in total)
• 機能のキーワード: helix-turn-helix, tetr-family, complex, inhibitor, drug design, tuberculosis, ethionamide, dna binding protein
• 由来する生物種: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 48666.55

構造登録者

Wintjens, R.,Wohlkonig, A.,Tanina, A. (登録日: 2018-09-28, 公開日: 2019-02-27, 最終更新日: 2024-01-24)

• 主引用文献: Prevet, H.,Moune, M.,Tanina, A.,Kemmer, C.,Herledan, A.,Frita, R.,Wohlkonig, A.,Bourotte, M.,Villemagne, B.,Leroux, F.,Gitzinger, M.,Baulard, A.R.,Deprez, B.,Wintjens, R.,Willand, N.,Flipo, M.; A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.; Eur J Med Chem, 167:426-438, 2019; PubMed: 30784877; DOI: 10.1016/j.ejmech.2019.02.023

実験手法

X-RAY DIFFRACTION (1.45 Å)