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: 2024-01-24)
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: 30768270 DOI: 10.1021/acs.jmedchem.9b00102 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.6 Å)

Structure validation