8TQG

Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419

8TQG の概要

• エントリーDOI: 10.2210/pdb8tqg/pdb
• 分子名称: Polyketide synthase Pks13, N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: polyketide synthase, thioesterase, biosynthetic protein
• 由来する生物種: Mycobacterium tuberculosis
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32595.58

構造登録者

Krieger, I.V.,Sacchettini, J.C. (登録日: 2023-08-07, 公開日: 2024-04-24, 最終更新日: 2024-05-22)

• 主引用文献: Krieger, I.V.,Yalamanchili, S.,Dickson, P.,Engelhart, C.A.,Zimmerman, M.D.,Wood, J.,Clary, E.,Nguyen, J.,Thornton, N.,Centrella, P.A.,Chan, B.,Cuozzo, J.W.,Gengenbacher, M.,Guie, M.A.,Guilinger, J.P.,Bienstock, C.,Hartl, H.,Hupp, C.D.,Jetson, R.,Satoh, T.,Yeoman, J.T.S.,Zhang, Y.,Dartois, V.,Schnappinger, D.,Keefe, A.D.,Sacchettini, J.C.; Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.; Acs Infect Dis., 10:1561-1575, 2024; PubMed: 38577994; DOI: 10.1021/acsinfecdis.3c00592

実験手法

X-RAY DIFFRACTION (2.2 Å)