Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
Journal, issue, pages	J. Med. Chem., Vol. 63, Page 601-612, Year 2020
Publish date	May 22, 2019 (structure data deposition date)
Authors	Lefranc, J. / Schulze, V.K. / Hillig, R.C. / Briem, H. / Prinz, F. / Mengel, A. / Heinrich, T. / Balint, J. / Rengachari, S. / Irlbacher, H. ...Lefranc, J. / Schulze, V.K. / Hillig, R.C. / Briem, H. / Prinz, F. / Mengel, A. / Heinrich, T. / Balint, J. / Rengachari, S. / Irlbacher, H. / Stockigt, D. / Bomer, U. / Bader, B. / Gradl, S.N. / Nising, C.F. / von Nussbaum, F. / Mumberg, D. / Panne, D. / Wengner, A.M.
External links	J. Med. Chem. / PubMed:31859507
Methods	X-ray diffraction
Resolution	2.75 - 3.29 Å
Structure data	PDB-6rsr: TBK1 in complex with compound 2 Method: X-RAY DIFFRACTION / Resolution: 3.15 Å PDB-6rst: TBK1 in complex with inhibitor compound 24 Method: X-RAY DIFFRACTION / Resolution: 3.29 Å PDB-6rsu: TBK1 in complex with Inhibitor compound 35 Method: X-RAY DIFFRACTION / Resolution: 2.75 Å
Chemicals	ChemComp-KHT: ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide ChemComp-KHQ: 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one ChemComp-KJB: 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one
Source	homo sapiens (human)
Keywords	IMMUNE SYSTEM / kinase / innate immunity / small molecule inhibitor