8Q0T

Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity

8Q0T の概要

• エントリーDOI: 10.2210/pdb8q0t/pdb
• 分子名称: Polyketide synthase Pks13, 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide (3 entities in total)
• 機能のキーワード: inhibitor complex, transferase
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 64382.33

構造登録者

Eadsforth, T.C.,Punekar, A.S.,Green, S.R.,Baragana, B. (登録日: 2023-07-29, 公開日: 2023-11-22, 最終更新日: 2023-12-06)

• 主引用文献: Green, S.R.,Wilson, C.,Eadsforth, T.C.,Punekar, A.S.,Tamaki, F.K.,Wood, G.,Caldwell, N.,Forte, B.,Norcross, N.R.,Kiczun, M.,Post, J.M.,Lopez-Roman, E.M.,Engelhart, C.A.,Lukac, I.,Zuccotto, F.,Epemolu, O.,Boshoff, H.I.M.,Schnappinger, D.,Walpole, C.,Gilbert, I.H.,Read, K.D.,Wyatt, P.G.,Baragana, B.; Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.; J.Med.Chem., 66:15380-15408, 2023; PubMed: 37948640; DOI: 10.1021/acs.jmedchem.3c01514

実験手法

X-RAY DIFFRACTION (1.8 Å)