7UN0

Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor

7UN0 の概要

• エントリーDOI: 10.2210/pdb7un0/pdb
• 分子名称: Dual specificity protein phosphatase 10, 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one (2 entities in total)
• 機能のキーワード: phosphatase, protein-tyrosine phosphatase, ddual specificity phosphatase, phosphatase-inhibitor complex, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 106768.91

構造登録者

Gannam, Z.T.K.,Jamali, H.,Lolis, E.,Anderson, K.S.,Ellman, J.A.,Bennett, A.M. (登録日: 2022-04-08, 公開日: 2022-10-05, 最終更新日: 2023-10-18)

• 主引用文献: Gannam, Z.T.K.,Jamali, H.,Kweon, O.S.,Herrington, J.,Shillingford, S.R.,Papini, C.,Gentzel, E.,Lolis, E.,Bennett, A.M.,Ellman, J.A.,Anderson, K.S.; Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.; Eur.J.Med.Chem., 243:114712-114712, 2022; PubMed: 36116232; DOI: 10.1016/j.ejmech.2022.114712

実験手法

X-RAY DIFFRACTION (3 Å)