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5LE1

VIM-2 metallo-beta-lactamase in complex with 2-(2-chloro-6-fluorobenzyl)-3-oxoisoindoline-4-carboxylic acid (compound 16)

Summary for 5LE1
Entry DOI10.2210/pdb5le1/pdb
DescriptorMetallo-beta-lactamase VIM-2, ZINC ION, 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1~{H}-isoindole-4-carboxylic acid, ... (6 entities in total)
Functional Keywordsmetallo-beta-lactamase, inhibitor, complex, antibiotic resistance, hydrolase
Biological sourcePseudomonas aeruginosa
Total number of polymer chains1
Total formula weight29033.58
Authors
Li, G.-B.,Brem, J.,McDonough, M.A.,Schofield, C.J. (deposition date: 2016-06-29, release date: 2017-02-15, Last modification date: 2024-01-10)
Primary citationLi, G.B.,Abboud, M.I.,Brem, J.,Someya, H.,Lohans, C.T.,Yang, S.Y.,Spencer, J.,Wareham, D.W.,McDonough, M.A.,Schofield, C.J.
NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.
Chem Sci, 8:928-937, 2017
Cited by
PubMed: 28451231
DOI: 10.1039/c6sc04524c
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.4 Å)
Structure validation

217705

数据于2024-03-27公开中

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