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TitleTargeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 2843-2848, Year 2019
Publish dateNov 28, 2018 (structure data deposition date)
AuthorsWolle, P. / Hardick, J. / Cronin, S.J.F. / Engel, J. / Baumann, M. / Lategahn, J. / Penninger, J.M. / Rauh, D.
External linksJ. Med. Chem. / PubMed:30768270
MethodsX-ray diffraction
Resolution2.1 - 2.6 Å
Structure data

PDB-6ib0:
The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 3a
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-6ib2:
The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 4a
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-H8Z:
1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-862:
1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / MKK7 / Inhibitor / Covalent / JNK / Kinase

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