4CC6

Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase

Summary for 4CC6

• Entry DOI: 10.2210/pdb4cc6/pdb
• Related: 4CC5
• Descriptor: DNA LIGASE, SULFATE ION, 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol, ... (4 entities in total)
• Functional Keywords: ligase, liga, antibiotic design
• Biological source: STAPHYLOCOCCUS AUREUS
• Total number of polymer chains: 1
• Total formula weight: 37144.13

Authors

Howard, S.,Amin, N.,Benowitz, A.B.,Chiarparin, E.,Cui, H.,Deng, X.,Heightman, T.D.,Holmes, D.J.,Hopkins, A.,Huang, J.,Jin, Q.,Kreatsoulas, C.,Martin, A.C.L.,Massey, F.,McCloskey, L.,Mortenson, P.N.,Pathuri, P.,Tisi, D.,Williams, P.A. (deposition date: 2013-10-18, release date: 2014-06-18, Last modification date: 2023-12-20)

• Primary citation: Howard, S.,Amin, N.,Benowitz, A.B.,Chiarparin, E.,Cui, H.,Deng, X.,Heightman, T.D.,Holmes, D.J.,Hopkins, A.,Huang, J.,Jin, Q.,Kreatsoulas, C.,Martin, A.C.L.,Massey, F.,Mccloskey, L.,Mortenson, P.N.,Pathuri, P.,Tisi, D.,Williams, P.A.; Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.; Acs Med.Chem.Lett., 4:1208-, 2013; PubMed: 24900632; DOI: 10.1021/ML4003277

Experimental method

X-RAY DIFFRACTION (2.01 Å)