6IB0
The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 3a
Summary for 6IB0
| Entry DOI | 10.2210/pdb6ib0/pdb |
| Descriptor | Dual specificity mitogen-activated protein kinase kinase 7, 1-[(3~{R})-3-(4-azanyl-3-ethynyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one, TETRAETHYLENE GLYCOL, ... (4 entities in total) |
| Functional Keywords | mkk7, inhibitor, covalent, transferase, jnk, kinase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 36637.41 |
| Authors | Wolle, P.,Hardick, J.,Mueller, M.P.,Rauh, D. (deposition date: 2018-11-28, release date: 2019-02-27, Last modification date: 2024-10-23) |
| Primary citation | Wolle, P.,Hardick, J.,Cronin, S.J.F.,Engel, J.,Baumann, M.,Lategahn, J.,Penninger, J.M.,Rauh, D. Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors. J.Med.Chem., 62:2843-2848, 2019 Cited by PubMed Abstract: The protein kinase MKK7 is linked to neuronal development and the onset of cancer. The field, however, lacks high-quality functional probes that would allow for the dissection of its detailed functions. Against this background, we describe an effective covalent inhibitor of MKK7 based on the pyrazolopyrimidine scaffold. PubMed: 30768270DOI: 10.1021/acs.jmedchem.9b00102 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.6 Å) |
Structure validation
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