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4B6C

Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide

4B6C の概要
エントリーDOI10.2210/pdb4b6c/pdb
分子名称DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B, 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide, SODIUM ION, ... (4 entities in total)
機能のキーワードisomerase, dna topoisomerase, inhibitor
由来する生物種Mycobacterium smegmatis
詳細
タンパク質・核酸の鎖数2
化学式量合計44982.65
構造登録者
Tucker, J.A.,Shirude, P.S.,Madhavapeddi, P.,Hussein, S.,Basu, R.,Ghorpade, S. (登録日: 2012-08-09, 公開日: 2013-01-23, 最終更新日: 2024-05-01)
主引用文献Shirude, P.S.,Madhavapeddi, P.,Tucker, J.A.,Murugan, K.,Patil, V.,Basavarajappa, H.,Raichurkar, A.V.,Humnabadkar, V.,Hussein, S.,Sharma, S.,Ramya, V.K.,Narayan, C.B.,Balganesh, T.S.,Sambandamurthy, V.K.
Aminopyrazinamides: novel and specific GyrB inhibitors that kill replicating and nonreplicating Mycobacterium tuberculosis.
ACS Chem. Biol., 8:519-523, 2013
Cited by
PubMed Abstract: Aminopyrazinamides originated from a high throughput screen targeting the Mycobacterium smegmatis (Msm) GyrB ATPase. This series displays chemical tractability, robust structure-activity relationship, and potent antitubercular activity. The crystal structure of Msm GyrB in complex with one of the aminopyrazinamides revealed promising attributes of specificity against other broad spectrum pathogens and selectivity against eukaryotic kinases due to novel interactions at hydrophobic pocket, unlike other known GyrB inhibitors. The aminopyrazinamides display excellent mycobacterial kill under in vitro, intracellular, and hypoxic conditions.
PubMed: 23268609
DOI: 10.1021/cb300510w
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (2.2 Å)
構造検証レポート
Validation report summary of 4b6c
検証レポート(詳細版)ダウンロードをダウンロード

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件を2025-08-06に公開中

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