7BZJ

The Discovery of Benzhydrol-Oxaborole Hybrid Derivatives as Leucyl-tRNA Synthetase Inhibitors

Summary for 7BZJ

• Entry DOI: 10.2210/pdb7bzj/pdb
• Descriptor: Leucine--tRNA ligase, [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium (3 entities in total)
• Functional Keywords: leucyl-trna synthetase, pneumonia, rna binding protein-inhibitor complex, rna binding protein/inhibitor
• Biological source: Streptococcus pneumoniae (strain ATCC 700669 / Spain 23F-1)
• Total number of polymer chains: 1
• Total formula weight: 21746.89

Authors

Liu, R.J.,Li, H.,Wang, E.D.,Zhou, H. (deposition date: 2020-04-28, release date: 2020-12-09, Last modification date: 2023-11-29)

• Primary citation: Hao, G.,Li, H.,Yang, F.,Dong, D.,Li, Z.,Ding, Y.,Pan, W.,Wang, E.,Liu, R.,Zhou, H.; Discovery of benzhydrol-oxaborole derivatives as Streptococcus pneumoniae leucyl-tRNA synthetase inhibitors.; Bioorg.Med.Chem., 29:115871-115871, 2021; PubMed: 33221064; DOI: 10.1016/j.bmc.2020.115871

Experimental method

X-RAY DIFFRACTION (2 Å)