4UFZ

Synthesis of Novel NAD Dependant DNA Ligase Inhibitors via Negishi Cross-Coupling: Development of SAR and Resistance Studies

Summary for 4UFZ

Entry DOI	10.2210/pdb4ufz/pdb
Descriptor	DNA LIGASE, 5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile, 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, ... (4 entities in total)
Functional Keywords	ligase
Biological source	HAEMOPHILUS INFLUENZAE
Total number of polymer chains	1
Total formula weight	37095.04
Authors	Murphy-Benenato, K.E.,Boriack-Sjodin, P.A.,Martinez-Botella, G.,Carcanague, D.,Gingipali, L.,Gowravaram, M.,Harang, J.,Hale, M.,Ioannidis, G.,Jahic, H.,Johnstone, M.,Kutschke, A.,Laganas, V.A.,Loch, J.,Oguto, H.,Patel, S.J. (deposition date: 2015-03-20, release date: 2015-10-28, Last modification date: 2018-04-04)
Primary citation	Murphy-Benenato, K.E.,Gingipalli, L.,Boriack-Sjodin, P.A.,Martinez-Botella, G.,Carcanague, D.,Eyermann, C.J.,Gowravaram, M.,Harang, J.,Hale, M.R.,Ioannidis, G.,Jahic, H.,Johnstone, M.,Kutschke, A.,Laganas, V.A.,Loch, J.T.,Miller, M.D.,Oguto, H.,Patel, S.J. Negishi Cross-Coupling Enabled Synthesis of Novel Nad(+)-Dependent DNA Ligase Inhibitors and Sar Development. Bioorg.Med.Chem.Lett., 25:5172-, 2015 Cited by PubMed: 26463129 DOI: 10.1016/J.BMCL.2015.09.075 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.33 Å)

Structure validation