7OVL

Protein kinase MKK7 in complex with methoxycyclohexyl-substituted indazole

Summary for 7OVL

Entry DOI	10.2210/pdb7ovl/pdb
Descriptor	Dual specificity mitogen-activated protein kinase kinase 7, 3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide (3 entities in total)
Functional Keywords	inhibitor, complex, mkk7, kinase, triazole, click-chemistry, cuacc, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	36648.44
Authors	Buehrmann, M.,Wiese, J.N.,Mueller, M.P.,Rauh, D. (deposition date: 2021-06-15, release date: 2022-07-20, Last modification date: 2024-01-31)
Primary citation	Gehrtz, P.,Marom, S.,Buhrmann, M.,Hardick, J.,Kleinbolting, S.,Shraga, A.,Dubiella, C.,Gabizon, R.,Wiese, J.N.,Muller, M.P.,Cohen, G.,Babaev, I.,Shurrush, K.,Avram, L.,Resnick, E.,Barr, H.,Rauh, D.,London, N. Optimization of Covalent MKK7 Inhibitors via Crude Nanomole-Scale Libraries. J.Med.Chem., 65:10341-10356, 2022 Cited by PubMed: 35912476 DOI: 10.1021/acs.jmedchem.1c02206 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation