7ORE

Crystal structure of JNK3 in complex with light-activated covalent inhibitor MR-II-249 with both non-covalent and covalent binding modes (compound 4)

Summary for 7ORE

Entry DOI	10.2210/pdb7ore/pdb
Descriptor	Mitogen-activated protein kinase 10, 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywords	kinase, mapk, mapk10, light activation, covalent inhibitor, structural genomics, structural genomics consortium, sgc, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	44002.95
Authors	Chaikuad, A.,Reynders, M.,Trauner, D.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2021-06-05, release date: 2021-07-21, Last modification date: 2024-01-31)
Primary citation	Reynders, M.,Chaikuad, A.,Berger, B.T.,Bauer, K.,Koch, P.,Laufer, S.,Knapp, S.,Trauner, D. Controlling the Covalent Reactivity of a Kinase Inhibitor with Light. Angew.Chem.Int.Ed.Engl., 60:20178-20183, 2021 Cited by PubMed: 34081840 DOI: 10.1002/anie.202103767 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.18 Å)

Structure validation