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 and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
Journal, issue, pages	J. Med. Chem., Vol. 64, Page 15883-15911, Year 2021
Publish date	Apr 7, 2020 (structure data deposition date)
Authors	Wortmann, L. / Brauer, N. / Holton, S.J. / Irlbacher, H. / Weiske, J. / Lechner, C. / Meier, R. / Karen, J. / Sioberg, C.B. / Putter, V. ...Wortmann, L. / Brauer, N. / Holton, S.J. / Irlbacher, H. / Weiske, J. / Lechner, C. / Meier, R. / Karen, J. / Sioberg, C.B. / Putter, V. / Christ, C.D. / Ter Laak, A. / Lienau, P. / Lesche, R. / Nicke, B. / Cheung, S.H. / Bauser, M. / Haegebarth, A. / von Nussbaum, F. / Mumberg, D. / Lemos, C.
External links	J. Med. Chem. / PubMed:34699202
Methods	X-ray diffraction
Resolution	1.95 - 2.5 Å
Structure data	PDB-6ym3: Crystal structure of Compound 1 with PIP4K2A Method: X-RAY DIFFRACTION / Resolution: 2.05 Å PDB-6ym4: Crystal structure of BAY-297 with PIP4K2A Method: X-RAY DIFFRACTION / Resolution: 1.95 Å PDB-6ym5: Crystal structure of BAY-091 with PIP4K2A Method: X-RAY DIFFRACTION / Resolution: 2.5 Å
Chemicals	ChemComp-OYZ: (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid ChemComp-PO4: PHOSPHATE ION ChemComp-HOH: WATER ChemComp-P4Z: (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide ChemComp-GOL: GLYCEROL ChemComp-OZ5: (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid
Source	homo sapiens (human)
Keywords	TRANSFERASE / PIP4K2A