4B6C
Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide
4B6C の概要
エントリーDOI | 10.2210/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: 23268609DOI: 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) |
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