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Results 1 - 10 of 82 > >>
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EC Number Inhibitors Commentary Structure
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B14(4R,5S,6S)-3-[[(3S,5R)-5-(aminomethyl)oxolan-3-yl]sulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compound identified by virtual screening, interacts with residues Arg242 and Gly304 Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B14(4R,6S)-3-[[(3R,5R)-5-(aminomethyl)oxolan-3-yl]sulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid simulation of complex with isoform IprQ. The DELTAG# for the acylation is calculated as 24.29 kcal/mol Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B14(4R,6S)-3-[[(3R,5R)-5-(aminomethyl)oxolan-3-yl]sulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid compound identified by virtual screening, interacts with residues Arg242 and Gly304 Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B142-[(2S,3S)-2-(2H-1,3-benzodioxol-5-yl)-1-(3-fluoro-4-methylphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione inhibitor identified by virtual screening, demonstrates close hydrogen bond interaction between the ligand and two active site residues Asn303 and Cys305, shows the highest binding free energy observed Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B142-[(2S,3S)-2-(4-fluorophenyl)-1-(3-methylphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione simulation of complex with isoform IprQ. The DELTAG# for the acylation is calculated as 20.9 kcal/mol Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B142-[(2S,3S)-2-(4-fluorophenyl)-1-(3-methylphenyl)-4-oxoazetidin-3-yl]-5-nitro-1H-isoindole-1,3(2H)-dione compound identified by virtual screening, interacts with the residue Asn263 and a water molecule which is within the active site Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B146-aminopenicillanic acid high degree of Cys354 modification, occurrence of a possible coupling reaction Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B14amoxicillin - Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B14amoxicillin no covalent adduct observed Go to the Ligand Summary Page
Display the word mapDisplay the reaction diagram Show all sequences 2.3.2.B14ampicillin - Go to the Ligand Summary Page
Results 1 - 10 of 82 > >>
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