6IBS

Crystal structure of NDM-1 beta-lactamase in complex with boronic inhibitor cpd 6

Summary for 6IBS

• Entry DOI: 10.2210/pdb6ibs/pdb
• Descriptor: Metallo-beta-lactamase type 2, ZINC ION, [7-[(2-methylpropan-2-yl)oxycarbonylamino]-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide, ... (5 entities in total)
• Functional Keywords: beta-lactamase; bacterial resistance; acyclic boronic inhibitors, hydrolase
• Biological source: Klebsiella pneumoniae
• Total number of polymer chains: 2
• Total formula weight: 52762.52

Authors

Maso, L.,Quotadamo, A.,Bellio, P.,Montanari, M.,Venturelli, A.,Celenza, G.,Costi, M.P.,Tondi, D.,Cendron, L. (deposition date: 2018-11-30, release date: 2019-04-24, Last modification date: 2024-01-24)

• Primary citation: Cendron, L.,Quotadamo, A.,Maso, L.,Bellio, P.,Montanari, M.,Celenza, G.,Venturelli, A.,Costi, M.P.,Tondi, D.; X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.; Acs Med.Chem.Lett., 10:650-655, 2019; PubMed: 30996812; DOI: 10.1021/acsmedchemlett.8b00607

Experimental method

X-RAY DIFFRACTION (1.37 Å)