Please wait a moment until all data is loaded. This message will disappear when all data is loaded.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
ATP-dependent UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase
D-Ala-D-Ala-adding enzyme
Synthetase, uridine diphosphoacetylmuramoylpentapeptide
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine synthetase
UDP-N-acetylmuramoylalanyl-D-glutamyl-lysine-D-alanyl-D-alanine ligase
UDPacetylmuramoylpentapeptide synthetase
Uridine diphosphoacetylmuramoylpentapeptide synthetase
additional information
member of ligase superfamily
AbMurF
-
ATP-dependent UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase
-
ATP-dependent UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase
-
-
D-Ala-D-Ala-adding enzyme
-
-
-
-
D-Ala-D-Ala-adding enzyme
-
-
D-Ala-D-Ala-adding enzyme
-
D-Ala-D-Ala-adding enzyme
-
-
MurF
-
Synthetase, uridine diphosphoacetylmuramoylpentapeptide
-
-
-
-
Synthetase, uridine diphosphoacetylmuramoylpentapeptide
-
-
Synthetase, uridine diphosphoacetylmuramoylpentapeptide
-
Synthetase, uridine diphosphoacetylmuramoylpentapeptide
-
-
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine synthetase
-
-
-
-
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine synthetase
-
-
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine synthetase
-
UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine synthetase
-
-
UDP-N-acetylmuramoylalanyl-D-glutamyl-lysine-D-alanyl-D-alanine ligase
-
-
-
-
UDP-N-acetylmuramoylalanyl-D-glutamyl-lysine-D-alanyl-D-alanine ligase
-
-
UDP-N-acetylmuramoylalanyl-D-glutamyl-lysine-D-alanyl-D-alanine ligase
-
UDPacetylmuramoylpentapeptide synthetase
-
-
-
-
UDPacetylmuramoylpentapeptide synthetase
-
-
UDPacetylmuramoylpentapeptide synthetase
-
UDPacetylmuramoylpentapeptide synthetase
-
-
Uridine diphosphoacetylmuramoylpentapeptide synthetase
-
-
-
-
Uridine diphosphoacetylmuramoylpentapeptide synthetase
-
-
Uridine diphosphoacetylmuramoylpentapeptide synthetase
-
Uridine diphosphoacetylmuramoylpentapeptide synthetase
-
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Lac
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Lac
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + fluoro-D-Ala-fluoro-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-fluoro-D-Ala-fluoro-D-Ala
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-diaminopimelic acid + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-diaminopimeloyl-D-alanyl-D-alanine
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
additional information
?
-
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
?
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
?
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
r
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
formation of an acyl phosphate intermediate
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
enzyme is part of the bacterial peptidoglycan forming group of enzymes
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
part of bacterial peptidoglycan biosynthesis
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
enzyme is part of the bacterial peptidoglycan forming group of enzymes
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
r
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
ATP and UDP binding mode analysis, overview
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
ATP and UDP binding mode analysis, overview
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
-
MurF catalyzes the last cytoplasmic step of bacterial cell wall synthesis
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
-
role of murF exceeds its primary function in peptidoglycan biosynthesis and may also be involved in the control of cell division
-
-
?
additional information
?
-
the ATP-binding mode revealed by the crystal structure of the MurF-ATP complex confirms that a carbamoylated lysine and two Mg2+ ions are required for enzyme activity of MurF. UDP-MurF interactions are observed in the crystal structure of the MurF-ATP-UDP complex, depicting the characteristic substrate-binding mode of MurF. Structure-function analysis, overview
-
-
?
additional information
?
-
the ATP-binding mode revealed by the crystal structure of the MurF-ATP complex confirms that a carbamoylated lysine and two Mg2+ ions are required for enzyme activity of MurF. UDP-MurF interactions are observed in the crystal structure of the MurF-ATP-UDP complex, depicting the characteristic substrate-binding mode of MurF. Structure-function analysis, overview
-
-
?
additional information
?
-
the specific activity of the mutant enzyme is highly reduced compared to the wild-type murF
-
?
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
additional information
?
-
the specific activity of the mutant enzyme is highly reduced compared to the wild-type murF
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
?
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
?
-
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
-
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
enzyme is part of the bacterial peptidoglycan forming group of enzymes
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
part of bacterial peptidoglycan biosynthesis
-
?
ATP + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys + D-Ala-D-Ala
ADP + phosphate + UDP-N-acetylmuramoyl-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
enzyme is part of the bacterial peptidoglycan forming group of enzymes
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
-
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
-
MurF catalyzes the last cytoplasmic step of bacterial cell wall synthesis
-
-
?
ATP + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine + D-alanyl-D-alanine
ADP + phosphate + UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
-
role of murF exceeds its primary function in peptidoglycan biosynthesis and may also be involved in the control of cell division
-
-
?
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
(2R,4R)-4-(3,7-dimethoxynaphthalen-2-yl)-1-(dimethylamino)-3,4-diphenylbutan-2-ol
-
modest activity against lipopolysaccharide-defective Escherichia coli and wild-type Escherichia coli rendered permeable with polymyxin B nonapeptide. Treatment of lipopolysaccharide-defective Escherichia coli cells with >2fold minimal inhibitory concentrations of DQ1 results in a 75-fold-greater accumulation of the MurF substrate compared to the control, a 70% decline in the amount of the MurF product, and eventual cell lysis, consistent with the inhibition of MurF within bacteria
(2S,4R)-4-(3,7-dimethoxynaphthalen-2-yl)-1-(dimethylamino)-3,4-diphenylbutan-2-ol
-
additionally active against Gram-positive bacteria, including methicillin-susceptible and -resistant Staphylococcus aureus isolates and vancomycin-susceptible and -resistant Enterococcus faecalis and Enterococcus faecium isolates
1,4-diaminoanthra-9,10-quinone
pIC50 predicted by comparative residue interaction analysis: 5.0, pIC50 predicted by comparative molecular field analysis:5.5
1-(azepan-1-ylmethyl)-2-naphthol
pIC50 predicted by comparative residue interaction analysis: 5.7, pIC50 predicted by comparative molecular field analysis: 5.9
1-(cyclohexylmethyl)piperazine
pIC50 predicted by comparative residue interaction analysis: 5.5, pIC50 predicted by comparative molecular field analysis: 6.2
1-[[(4-trifluoromethylphenyl)sulfonyl]amino]-3-(morpholin-4-yl)propan-2-yl dihydrogen phosphate
-
-
2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide
-
2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
-
2,4-dichloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-methoxyethyl)(methyl)sulfamoyl]benzamide
-
2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
-
2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(morpholin-4-ylsulfonyl)benzamide
-
2-(4-methylphenyl)pyrrolo[2,1-a]isoquinoline
pIC50 predicted by comparative residue interaction analysis: 5.1, pIC50 predicted by comparative molecular field analysis: 5.6
2-(propylamino)ethyl 4-amino-3-propoxybenzoate
-
-
2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxamide
-
2-bromo-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-2-thienyl)-5-[(diethylamino)sulfonyl]benzamide
-
2-chloro-N-(3-cyano-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-2-yl)-5-[(4-hydroxybutyl)sulfamoyl]benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-4-fluoro-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(methylamino)sulfonyl]benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[[(3-hydroxypropyl)amino]sulfonyl]benzamide
-
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-4-(methylamino)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
-
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(piperidin-1-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(diethylsulfamoyl)benzamide
-
2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide
-
-
2-chloro-N-[3-cyano-5-(2-pyridin-2-ylethyl)thiophen-2-yl]-5-(morpholin-4-ylsulfonyl)benzamide
-
2-chloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
-
2-thioxo-3-[4-(trifluoromethoxy)phenyl]-2,3-dihydroquinazolin-4(1H)-one
-
-
3-anilinocyclohex-2-en-1-one
pIC50 predicted by comparative residue interaction analysis: 5.2, pIC50 predicted by comparative molecular field analysis: 5.5
3-imino-3,4-dihydroisoquinolin-1(2H)-one
pIC50 predicted by comparative residue interaction analysis: 5.2, pIC50 predicted by comparative molecular field analysis: 5.6
4,6-dimethyl-1-[[(1E)-phenylmethylene]amino]pyridin-2(1H)-one
pIC50 predicted by comparative residue interaction analysis: 5.1, pIC50 predicted by comparative molecular field analysis: 4.6
4-(4-methylpiperazin-1-yl)aniline
pIC50 predicted by comparative residue interaction analysis: 5.7, pIC50 predicted by comparative molecular field analysis: 6.1
4-[(pentachlorobenzyl)sulfanyl]-6-sulfanyl-1,3,5-triazin-2-ol
-
i.e. NSC 209931, inhibitor identified by structure-based virtual screening
5-(aminosulfonyl)-2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)benzamide
-
5-(anilinosulfonyl)-2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)benzamide
-
6-piperazin-1-yl-1H-benzo[de]isoquinoline-1,3(2H)-dione
pIC50 predicted by comparative residue interaction analysis: 5.4, pIC50 predicted by comparative molecular field analysis: 5.8
acetate
-
inhibition of wild-type enzyme
Butylamine
-
inhibition of wild-type and mutant K202A; inhibition of wild-type enzyme
Butyrate
-
slight inhibition of wild-type enzyme
ethyl 2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate
-
ethylamine
-
inhibition of wild-type enzyme
formate
-
inhibition of wild-type enzyme
methylamine
-
inhibition of wild-type enzyme
N-(3-aminopropyl)-4-(trifluoromethyl)-2-([4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl)pyrimidine-5-carboxamide
-
-
N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-2-[[3-(dimethylamino)propyl]amino]-5-(morpholin-4-ylsulfonyl)benzamide
-
N-(4-carbamimidoylphenyl)-4-(trifluoromethyl)-2-([4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl)pyrimidine-5-carboxamide
-
-
N-(5-bromo-3-cyano-2-thienyl)-2-chloro-5-[(diethylamino)sulfonyl]benzamide
-
N-[3-(cyclopentylamino)propyl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethyl)pyrimidine-5-carboxamide
-
-
propionate
-
inhibition of wild-type enzyme
Propylamine
-
inhibition of wild-type enzyme
additional information
design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de dovo design
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
0.024
(2R,4R)-4-(3,7-dimethoxynaphthalen-2-yl)-1-(dimethylamino)-3,4-diphenylbutan-2-ol
Escherichia coli
-
-
0.15
1-[[(4-trifluoromethylphenyl)sulfonyl]amino]-3-(morpholin-4-yl)propan-2-yl dihydrogen phosphate
Escherichia coli
-
pH 8.0
0.000000302
2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.0000052
2,4-dichloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide
Streptococcus pneumoniae
-
0.001
2,4-dichloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
-
0.000000071
2,4-dichloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(2-methoxyethyl)(methyl)sulfamoyl]benzamide
Streptococcus pneumoniae
-
0.000000068
2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
Streptococcus pneumoniae
-
0.000000022
2,4-dichloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.03
2-(propylamino)ethyl 4-amino-3-propoxybenzoate
Streptococcus pneumoniae
-
-
0.000066
2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophene-3-carboxamide
Streptococcus pneumoniae
-
0.00000417
2-bromo-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.151
2-chloro-N-(3-cyano-2-thienyl)-5-[(diethylamino)sulfonyl]benzamide
Streptococcus pneumoniae
-
0.022
2-chloro-N-(3-cyano-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiophen-2-yl)-5-[(4-hydroxybutyl)sulfamoyl]benzamide
Streptococcus pneumoniae
-
0.0000065
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-4-fluoro-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.0000089
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.0000079
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide
Streptococcus pneumoniae
-
0.0000151
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[(methylamino)sulfonyl]benzamide
Streptococcus pneumoniae
-
0.0000079
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)-5-[[(3-hydroxypropyl)amino]sulfonyl]benzamide
Streptococcus pneumoniae
-
0.0000617
2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-4-(methylamino)-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.000001 - 0.0000017
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
0.00000141
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
Streptococcus pneumoniae
-
0.0025
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(piperidin-1-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.000003388
2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(diethylsulfamoyl)benzamide
Streptococcus pneumoniae
-
0.000004169
2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.008
2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-5-[(diethylamino)sulfonyl]benzamide
Streptococcus pneumoniae
-
-
0.006
2-chloro-N-[3-cyano-5-(2-pyridin-2-ylethyl)thiophen-2-yl]-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.000000054
2-chloro-N-[3-cyano-6-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-(diethylsulfamoyl)benzamide
Streptococcus pneumoniae
-
0.019
2-thioxo-3-[4-(trifluoromethoxy)phenyl]-2,3-dihydroquinazolin-4(1H)-one
Streptococcus pneumoniae
-
-
0.063
4-[(pentachlorobenzyl)sulfanyl]-6-sulfanyl-1,3,5-triazin-2-ol
Escherichia coli
-
pH 8.0, 37°C
0.078
5-(aminosulfonyl)-2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)benzamide
Streptococcus pneumoniae
-
0.0000257
5-(anilinosulfonyl)-2-chloro-N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thien-2-yl)benzamide
Streptococcus pneumoniae
-
0.00000603
ethyl 2-([[2-chloro-5-(diethylsulfamoyl)phenyl]carbonyl]amino)-3-cyano-4,5,6,7-tetrahydro-1-benzothiophene-6-carboxylate
Streptococcus pneumoniae
-
0.0075
N-(3-aminopropyl)-4-(trifluoromethyl)-2-([4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl)pyrimidine-5-carboxamide
Escherichia coli
-
-
0.000074
N-(3-cyano-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]thiophen-2-yl)-2-[[3-(dimethylamino)propyl]amino]-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.0025
N-(4-carbamimidoylphenyl)-4-(trifluoromethyl)-2-([4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl)pyrimidine-5-carboxamide
Escherichia coli
-
-
0.0126
N-(5-bromo-3-cyano-2-thienyl)-2-chloro-5-[(diethylamino)sulfonyl]benzamide
Streptococcus pneumoniae
-
0.0025
N-[3-(cyclopentylamino)propyl]-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-4-(trifluoromethyl)pyrimidine-5-carboxamide
Escherichia coli
-
-
0.000001
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
0.0000017
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(morpholin-4-ylsulfonyl)benzamide
Streptococcus pneumoniae
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
0.006
-
purified recombinant mutant K202A, in presence of butylamine
0.016
-
purified recombinant mutant K202A
0.032
-
purified recombinant mutant K202A, in presence of propylamine
0.046
-
purified recombinant mutant K202A, in presence of ethylamine
0.052
-
purified recombinant mutant K202A, in presence of formate
0.437
-
purified recombinant mutant K202A, in presence of butyrate
0.511
-
purified recombinant mutant K202A, in presence of acetate
0.55
-
purified recombinant wild-type enzyme, in presence of methylamine
0.71
-
purified recombinant wild-type enzyme, in presence of propylamine
0.72
-
purified recombinant wild-type enzyme, in presence of butylamine
0.76
-
purified recombinant wild-type enzyme, in presence of propionate
0.769
-
purified recombinant mutant K202A, in presence of propionate
0.8
-
purified recombinant wild-type enzyme, in presence of ethylamine
0.88
-
purified recombinant wild-type enzyme, in presence of acetate
0.93
-
purified recombinant wild-type enzyme, in presence of formate
1.24
-
purified recombinant wild-type enzyme, in presence of butyrate
1.27
-
purified recombinant wild-type enzyme
11.2
purified recombinant wild-type enzyme, 30°C
13.9
purified recombinant wild-type enzyme, 42°C
0.04
purified recombinant enzyme, 42°C
0.04
purified recombinant murF2 mutant, 42°C
0.062
purified recombinant enzyme, 30°C
0.062
purified recombinant murF2 mutant, 30°C
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
crystallization of two MurF-ATP complexes: the MurFATP complex and the MurF-ATP-UDP complex, trigonal crystals of Se-AbMurF with ATP are grown in a precipitant solution containing 20% w/v PEG 3000 and 0.1 M sodium citrate-citric acid, pH 5.5, crystals of the AbMurF-ATP-UDP complex are obtained by soaking experiments, trigonal crystals of the AbMurF-ATP complex isomorphous to those of the Se-AbMurF-ATP complex are grown in the mother liquor and are then transferred to a solution containing 20% glycerol, 20% PEG 3000, 0.1 M sodium citrate-citric acid, pH 5.5, and 15 mM UDP, 25 min soaking, monoclinic crystals of the AbMurF-ATP complex are grown in a precipitant solution containing 24% PEG 4000, 0.08 M Tris-HCl, pH 8.5, 0.16 M MgCl2, and 20% glycerol by the micro-batch crystallization method at 22°C, X-ray diffraction structure determination and analysis at 1.8-2.8 A resolution
purified MurF in complex with ATP, microbatch crystallization method, mixing of 0.002 ml of 15 mg/ml protein in 150 mM NaCl, 20 mM HEPES, pH 7.4, and 1 mM DTT, with 0.002 ml of reservoir solution containing 0.1 M sodium citratecitric acid pH 5.5, 20% PEG 3000, 22°C, X-ray diffraction structure determination and analysis at 1.90 A resolution
hanging-drop vapour diffusion method, purified recombinant enzyme 12.2 mg/ml, in 10 mM Tris-HCl, pH 7.4, 10 mM DTT, plus equal volume of reservoir solution: 0.1 M Bis-Tris propane buffer, pH 9.4, 18% PEG 8000, 0.12 M MgSO4, 10% glycerol, about 20 days, X-ray diffraction structure determination at 2.8 A resolution, and analysis
crystals of MurF with bound inhibitor
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Oppenheim, B.; Patchornik, A.
Formation of D-alanyl-D-alanine and D-alanine from UDPMurNAc-L-Ala-D-isoGlu-L-Lys-D-Ala-D-Ala by extracts of Staphylococcus aureus and Streptococcus faecalis
FEBS Lett.
48
172-175
1974
Enterococcus faecalis, Staphylococcus aureus
brenda
Linnett, P.E.; Tipper, D.J.
Cell wall polymers of Bacillus sphaericus: activities of enzymes involved in peptidoglycan precursor synthesis during sporulation
J. Bacteriol.
120
342-354
1974
Lysinibacillus sphaericus, Lysinibacillus sphaericus 9602
brenda
Parquet, C.; Flouret, B.; Mengin-Lecreulx, D.; van Heijenoort, J.
Nucleotide sequence of the murF gene encoding the UDP-MurNAc-pentapeptide synthetase of Escherichia coli
Nucleic Acids Res.
17
5379
1989
Escherichia coli
brenda
Walsh, C.T.
Enzymes in the D-alanine branch of bacterial cell wall peptidoglycan assembly
J. Biol. Chem.
264
2393-2396
1989
Escherichia coli
brenda
Yan, Y.; Munshi, S.; Li, Y.; Pryor, K.A.; Marsilio, F.; Leiting, B.
Crystallization and preliminary X-ray analysis of the Escherichia coli UDP-MurNAc-tripeptide D-alanyl-D-alanine-adding enzyme (MurF)
Acta Crystallogr. Sect. D
55
2033-2034
1999
Escherichia coli (P11880), Escherichia coli K37 (P11880)
brenda
Eveland, S.S.; Pompliano, D.L.; Anderson, M.S.
Conditionally lethal Escherichia coli murein mutants contain point defects that map to regions conserved among murein and folyl poly-g-glutamate ligases: identification of a ligase superfamily
Biochemistry
36
6223-6229
1997
Escherichia coli (P11880)
brenda
Dementin, S.; Bouhss, A.; Auger, G.; Parquet, C.; Mengin-Lecreulx, D.; Dideberg, O.; van Heijenoort, J.; Blanot, D.
Evidence of a functional requirement for a carbamoylated lysine residue in MurD, MurE and MurF synthetases as established by chemical rescue experiments
Eur. J. Biochem.
268
5800-5807
2001
Escherichia coli
brenda
Serina, S.; Radice, F.; Maffioli, S.; Donadio, S.; Sosio, M.
Glycopeptide resistance determinants from the teicoplanin producer Actinoplanes teichomyceticus
FEMS Microbiol. Lett.
240
69-74
2004
Actinoplanes teichomyceticus
brenda
Baum, E.Z.; Crespo-Carbone, S.M.; Abbanat, D.; Foleno, B.; Maden, A.; Goldschmidt, R.; Bush, K.
Utility of muropeptide ligase for identification of inhibitors of the cell wall biosynthesis enzyme MurF
Antimicrob. Agents Chemother.
50
230-236
2006
Escherichia coli
brenda
Stamper, G.F.; Longenecker, K.L.; Fry, E.H.; Jakob, C.G.; Florjancic, A.S.; Gu, Y.G.; Anderson, D.D.; Cooper, C.S.; Zhang, T.; Clark, R.F.; Cia, Y.; Black-Schaefer, C.L.; Owen McCall, J.; Lerner, C.G.; Hajduk, P.J.; Beutel, B.A.; Stoll, V.S.
Structure-based optimization of MurF inhibitors
Chem. Biol. Drug Des.
67
58-65
2006
Streptococcus pneumoniae (Q8DNV6)
brenda
Sobral, R.G.; Ludovice, A.M.; de Lencastre, H.; Tomasz, A.
Role of murF in cell wall biosynthesis: isolation and characterization of a murF conditional mutant of Staphylococcus aureus
J. Bacteriol.
188
2543-2553
2006
Staphylococcus aureus
brenda
Comess, K.M.; Schurdak, M.E.; Voorbach, M.J.; Coen, M.; Trumbull, J.D.; Yang, H.; Gao, L.; Tang, H.; Cheng, X.; Lerner, C.G.; McCall, J.O.; Burns, D.J.; Beutel, B.A.
An ultraefficient affinity-based high-throughout screening process: application to bacterial cell wall biosynthesis enzyme MurF
J. Biomol. Screen.
11
743-754
2006
Streptococcus pneumoniae
brenda
Khedkar, S.A.; Malde, A.K.; Coutinho, E.C.
Design of inhibitors of the MurF enzyme of Streptococcus pneumoniae using docking, 3D-QSAR, and de Novo design
J. Chem. Inf. Model.
47
1839-1846
2007
Streptococcus pneumoniae (Q8DNV6)
brenda
Baum, E.Z.; Crespo-Carbone, S.M.; Foleno, B.D.; Simon, L.D.; Guillemont, J.; Macielag, M.; Bush, K.
MurF inhibitors with antibacterial activity: effect on muropeptide levels
Antimicrob. Agents Chemother.
53
3240-3247
2009
Escherichia coli
brenda
Sova, M.; Kovac, A.; Turk, S.; Hrast, M.; Blanot, D.; Gobec, S.
Phosphorylated hydroxyethylamines as novel inhibitors of the bacterial cell wall biosynthesis enzymes MurC to MurF
Bioorg. Chem.
37
217-222
2009
Escherichia coli
brenda
Turk, S.; Kovac, A.; Boniface, A.; Bostock, J.M.; Chopra, I.; Blanot, D.; Gobec, S.
Discovery of new inhibitors of the bacterial peptidoglycan biosynthesis enzymes MurD and MurF by structure-based virtual screening
Bioorg. Med. Chem.
17
1884-1889
2009
Escherichia coli
brenda
An, Y.J.; Jeong, C.S.; Yu, J.H.; Chung, K.M.; Cha, S.S.
Purification, crystallization and preliminary X-ray crystallographic analysis of the UDP-N-acetylmuramoyl-tripeptide-D-alanyl-D-alanine ligase (MurF) from Acinetobacter baumannii
Acta Crystallogr. Sect. F
70
976-978
2014
Acinetobacter baumannii (A0A0J9X1Z8), Acinetobacter baumannii, Acinetobacter baumannii AB307-0294 (A0A0J9X1Z8)
brenda
Cha, S.S.; An, Y.J.; Jeong, C.S.; Yu, J.H.; Chung, K.M.
ATP-binding mode including a carbamoylated lysine and two Mg(2+) ions, and substrate-binding mode in Acinetobacter baumannii MurF
Biochem. Biophys. Res. Commun.
450
1045-1050
2014
Acinetobacter baumannii (A0A0J9X1Z8), Acinetobacter baumannii AB307-0294 (A0A0J9X1Z8)
brenda