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

Summary for 7UN0

Entry DOI	10.2210/pdb7un0/pdb
Descriptor	Dual specificity protein phosphatase 10, 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one (2 entities in total)
Functional Keywords	phosphatase, protein-tyrosine phosphatase, ddual specificity phosphatase, phosphatase-inhibitor complex, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	6
Total formula weight	106768.91
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 Cited by PubMed: 36116232 DOI: 10.1016/j.ejmech.2022.114712 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3 Å)

Structure validation