title: The small molecule JIB-04 disrupts O2binding in the Fe-dependent histone demethylase KDM4A/JMJD2A.
abstract: JIB-04, a specific inhibitor of the O2-activating, Fe-dependent histone lysine demethylases, is revealed to disrupt the binding of O2in KDM4A/JMJD2A through a continuous O2-consumption assay, X-ray crystal structure data, and molecular docking.
authors.affiliation: Department of Chemistry, Washington University, St. Louis, Missouri 63130, USA. mirica@wustl.edu and Department of Biology, Washington University, St. Louis, Missouri 63130, USA. jjez@wustl.edu.
authors.forename: Barbara
authors.identifier: http://orcid.org/0000-0002-9144-025X
authors.initials: B
authors.lastname: Cascella
authors.affiliation: Department of Biology, Washington University, St. Louis, Missouri 63130, USA. jjez@wustl.edu.
authors.forename: Soon Goo
authors.initials: SG
authors.lastname: Lee
authors.affiliation: Department of Chemistry, Washington University, St. Louis, Missouri 63130, USA. mirica@wustl.edu.
authors.forename: Sukrit
authors.identifier: http://orcid.org/0000-0003-1914-4955
authors.initials: S
authors.lastname: Singh
authors.affiliation: Department of Biology, Washington University, St. Louis, Missouri 63130, USA. jjez@wustl.edu.
authors.forename: Joseph M
authors.initials: JM
authors.lastname: Jez
authors.affiliation: Department of Chemistry, Washington University, St. Louis, Missouri 63130, USA. mirica@wustl.edu.
authors.forename: Liviu M
authors.identifier: http://orcid.org/0000-0003-0584-9508
authors.initials: LM
authors.lastname: Mirica
mesh_terms: D000631:Aminopyridines / Q000494:pharmacology*; D020134:Catalytic Domain / Q000187:drug effects; D018360:Crystallography, X-Ray; D006801:Humans; D006835:Hydrazones / Q000494:pharmacology*; D056484:Jumonji Domain-Containing Histone Demethylases / Q000737:chemistry / Q000378:metabolism*; D062105:Molecular Docking Simulation; D010100:Oxygen / Q000378:metabolism*; D011485:Protein Binding / Q000187:drug effects
chemical_list: D000631:Aminopyridines; D006835:Hydrazones; C585278:JIB-04; D056484:Jumonji Domain-Containing Histone Demethylases; C494424:KDM4A protein, human; D010100:Oxygen