7UN4

Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor

Summary for 7UN4

• Entry DOI: 10.2210/pdb7un4/pdb
• Descriptor: Dual specificity protein phosphatase 10, 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one (2 entities in total)
• Functional Keywords: phosphatase, protein-tyrosine phosphatase, dual specificity phosphatase, phosphatase-inhibitor complex, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 6
• Total formula weight: 106610.51

Authors

Gannam, Z.T.K.,Jamali, H.,Lolis, E.,Anderson, K.S.,Ellman, J.A.,Bennett, A.M. (deposition date: 2022-04-08, release date: 2022-10-05, Last modification date: 2023-10-18)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.7 Å)