7U4O

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 7U4O

Entry DOI	10.2210/pdb7u4o/pdb
Descriptor	Dual specificity protein phosphatase 10, 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-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	106862.99
Authors	Gannam, Z.T.K.,Jamali, H.,Lolis, E.,Anderson, K.S.,Ellman, J.A.,Bennett, A.M. (deposition date: 2022-02-28, 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 (2.3 Å)

Structure validation