5D7D

Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand

5D7D の概要

• エントリーDOI: 10.2210/pdb5d7d/pdb
• 関連するPDBエントリー: 5CPH 5CTU 5CTW 5CTX 5CTY 5D6P 5D6Q 5D7C 5D7R
• 分子名称: DNA gyrase subunit B, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... (6 entities in total)
• 機能のキーワード: dna gyrase, gyrb, ligand, structure-based design, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• 由来する生物種: Staphylococcus aureus
• 細胞内の位置: Cytoplasm : P0A0K8
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 49251.74

構造登録者

Zhang, J.,Yang, Q.,Cross, J.B.,Romero, J.A.C.,Ryan, M.D.,Lippa, B.,Dolle, R.E.,Andersen, O.A.,Barker, J.,Cheng, R.K.,Kahmann, J.,Felicetti, B.,Wood, M.,Scheich, C. (登録日: 2015-08-13, 公開日: 2015-11-11, 最終更新日: 2023-09-27)

主引用文献

Zhang, J.,Yang, Q.,Romero, J.A.,Cross, J.,Wang, B.,Poutsiaka, K.M.,Epie, F.,Bevan, D.,Wu, Y.,Moy, T.,Daniel, A.,Chamberlain, B.,Carter, N.,Shotwell, J.,Arya, A.,Kumar, V.,Silverman, J.,Nguyen, K.,Metcalf, C.A.,Ryan, D.,Lippa, B.,Dolle, R.E.
Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors.
Acs Med.Chem.Lett., 6:1080-1085, 2015

PubMed Abstract: Antibacterials with a novel mechanism of action offer a great opportunity to combat widespread antimicrobial resistance. Bacterial DNA Gyrase is a clinically validated target. Through physiochemical property optimization of a pyrazolopyridone hit, a novel class of GyrB inhibitors were discovered. Guided by structure-based drug design, indazole derivatives with excellent enzymatic and antibacterial activity as well as great animal efficacy were discovered.

PubMed: 26487916
DOI: 10.1021/acsmedchemlett.5b00266

実験手法

X-RAY DIFFRACTION (1.6 Å)