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: 36116232DOI: 10.1016/j.ejmech.2022.114712 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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