3G90

JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one

Summary for 3G90

Entry DOI	10.2210/pdb3g90/pdb
Related	3G9L 3G9N
Descriptor	Mitogen-activated protein kinase 10, (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime (3 entities in total)
Functional Keywords	kinase, inhibitor, phosphorylation, atp-binding, epilepsy, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P53779
Total number of polymer chains	1
Total formula weight	42463.01
Authors	Xie, X.,Jacobs, M.D. (deposition date: 2009-02-12, release date: 2009-02-24, Last modification date: 2024-02-21)
Primary citation	Cao, J.,Gao, H.,Bemis, G.,Salituro, F.,Ledeboer, M.,Harrington, E.,Wilke, S.,Taslimi, P.,Pazhanisamy, S.,Xie, X.,Jacobs, M.,Green, J. Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors. Bioorg.Med.Chem.Lett., 19:2891-2895, 2009 Cited by PubMed Abstract: A series of N-benzylated isatin oximes were developed as inhibitors of the mitogen-activated kinase, JNK3. X-ray crystallographic structures aided in the design and synthesis of novel, selective compounds, that inhibit JNK3, but not p38 MAP kinase and provided key insights into understanding the behavior of gatekeeper residue methionine-146 in determining target selectivity for this series. PubMed: 19361991 DOI: 10.1016/j.bmcl.2009.03.043 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.4 Å)

Structure validation