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

An allosteric site on MKP5 reveals a strategy for small-molecule inhibition.

Mitogen-activated protein kinase phosphatase 5,MKP-5

25% PEG 3350, 200 mM ammonium acetate, 100 mM HEPES

Department of Health & Human Services (HHS)

National Institutes of Health/National Institute of Arthritis and Musculoskeletal and Skin Diseases (NIH/NIAMS)

Dual specificity protein phosphatase 10 (E.C.3.1.3.16,3.1.3.48)

phosphatase, protein-tyrosine phosphatase, dual specificity phosphatase, phosphatase-inhibitor complex, HYDROLASE-HYDROLASE Inhibitor complex

(chain A and (resid 320 through 333 or (resid 334 and (name N or name CA or name C or name O or name CB )) or resid 335 through 340 or (resid 341 and (name N or name CA or name C or name O or name CB )) or resid 342 through 344 or (resid 345 and (name N or name CA or name C or name O or name CB )) or resid 346 through 398 or (resid 399 and (name N or name CA or name C or name O or name CB )) or resid 400 through 464))

(chain B and ((resid 320 through 321 and (name N or name CA or name C or name O or name CB )) or resid 322 through 398 or (resid 399 and (name N or name CA or name C or name O or name CB )) or resid 400 through 464))

(chain C and ((resid 320 through 321 and (name N or name CA or name C or name O or name CB )) or resid 322 through 333 or (resid 334 and (name N or name CA or name C or name O or name CB )) or resid 335 through 340 or (resid 341 and (name N or name CA or name C or name O or name CB )) or resid 342 through 344 or (resid 345 and (name N or name CA or name C or name O or name CB )) or resid 346 through 398 or (resid 399 and (name N or name CA or name C or name O or name CB )) or resid 400 through 464))

(chain D and (resid 320 through 333 or (resid 334 and (name N or name CA or name C or name O or name CB )) or resid 335 through 340 or (resid 341 and (name N or name CA or name C or name O or name CB )) or resid 342 through 344 or (resid 345 and (name N or name CA or name C or name O or name CB )) or resid 346 through 398 or (resid 399 and (name N or name CA or name C or name O or name CB )) or resid 400 through 464))

(chain E and ((resid 320 through 321 and (name N or name CA or name C or name O or name CB )) or resid 322 through 333 or (resid 334 and (name N or name CA or name C or name O or name CB )) or resid 335 through 340 or (resid 341 and (name N or name CA or name C or name O or name CB )) or resid 342 through 344 or (resid 345 and (name N or name CA or name C or name O or name CB )) or resid 346 through 398 or (resid 399 and (name N or name CA or name C or name O or name CB )) or resid 400 through 464))

(chain F and ((resid 320 through 321 and (name N or name CA or name C or name O or name CB )) or resid 322 through 333 or (resid 334 and (name N or name CA or name C or name O or name CB )) or resid 335 through 340 or (resid 341 and (name N or name CA or name C or name O or name CB )) or resid 342 through 344 or (resid 345 and (name N or name CA or name C or name O or name CB )) or resid 346 through 464))