BRENDA - Enzyme Database show
show all sequences of 2.1.1.37

Novel and selective DNA methyltransferase inhibitors: docking-based virtual screening and experimental evaluation

Kuck, D.; Singh, N.; Lyko, F.; Medina-Franco, J.L.; Bioorg. Med. Chem. 18, 822-829 (2009)

Data extracted from this reference:

Activating Compound
Activating Compound
Commentary
Organism
Structure
NSC 319745
activation of Dnmt3b
Homo sapiens
NSC 345763
slight activation of Dnmt1
Homo sapiens
Inhibitors
Inhibitors
Commentary
Organism
Structure
curcumin
-
Homo sapiens
hydralazine
inhibition of Dnmt1
Homo sapiens
additional information
no inhibition of Dnmt3b by NSC 56071, NSC 348926, NSC 106084, NSC 622444, NSC 408488, NSC 137546, NSC 345763, NSC 54162, NSC 154957, NSC 158324, NSC 57893, and NSC 138419; virtual inhibitor screeening, molecular modeling with Dnmt1, overview. No inhibition of Dnmt1 by NSC 345763, NSC 154957, and NSC 158324
Homo sapiens
NSC 106084
inhibition of Dnmt1
Homo sapiens
NSC 137546
inhibition of Dnmt1
Homo sapiens
NSC 138419
inhibition of Dnmt1
Homo sapiens
NSC 14778
inhibition of Dnmt1; inhibition of Dnmt3b
Homo sapiens
NSC 158324
inhibition of Dnmt1
Homo sapiens
NSC 319745
inhibition of Dnmt1
Homo sapiens
NSC 348926
slight inhibition of Dnmt1
Homo sapiens
NSC 408488
inhibition of Dnmt1
Homo sapiens
NSC 54162
inhibition of Dnmt1
Homo sapiens
NSC 56071
inhibition of Dnmt1
Homo sapiens
NSC 57893
inhibition of Dnmt1
Homo sapiens
NSC 622444
inhibition of Dnmt1
Homo sapiens
RG108
slight inhibition of Dnmt1
Homo sapiens
S-adenosyl-L-homocysteine
product inhibition of Dnmt1; product inhibition of Dnmt3b
Homo sapiens
Localization
Localization
Commentary
Organism
GeneOntology No.
Textmining
nucleus
-
Homo sapiens
5634
-
Natural Substrates/ Products (Substrates)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
DNA + S-adenosyl-L-methionine
Homo sapiens
-
DNA containing 5-methylcytosine + S-adenosyl-L-homocysteine
-
-
?
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Homo sapiens
-
isozyme Dnmt1; isozyme Dnmt3b
-
Substrates and Products (Substrate)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
DNA + S-adenosyl-L-methionine
-
702694
Homo sapiens
DNA containing 5-methylcytosine + S-adenosyl-L-homocysteine
-
-
-
?
Subunits
Subunits
Commentary
Organism
More
Dnmt1 molecular modeling, overview
Homo sapiens
Cofactor
Cofactor
Commentary
Organism
Structure
S-adenosyl-L-methionine
-
Homo sapiens
IC50 Value
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
0.017
-
isozyme Dnmt3b
Homo sapiens
NSC 14778
0.092
-
isozyme Dnmt1
Homo sapiens
NSC 14778
Activating Compound (protein specific)
Activating Compound
Commentary
Organism
Structure
NSC 319745
activation of Dnmt3b
Homo sapiens
NSC 345763
slight activation of Dnmt1
Homo sapiens
Cofactor (protein specific)
Cofactor
Commentary
Organism
Structure
S-adenosyl-L-methionine
-
Homo sapiens
IC50 Value (protein specific)
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
0.017
-
isozyme Dnmt3b
Homo sapiens
NSC 14778
0.092
-
isozyme Dnmt1
Homo sapiens
NSC 14778
Inhibitors (protein specific)
Inhibitors
Commentary
Organism
Structure
curcumin
-
Homo sapiens
hydralazine
inhibition of Dnmt1
Homo sapiens
additional information
no inhibition of Dnmt3b by NSC 56071, NSC 348926, NSC 106084, NSC 622444, NSC 408488, NSC 137546, NSC 345763, NSC 54162, NSC 154957, NSC 158324, NSC 57893, and NSC 138419; virtual inhibitor screeening, molecular modeling with Dnmt1, overview. No inhibition of Dnmt1 by NSC 345763, NSC 154957, and NSC 158324
Homo sapiens
NSC 106084
inhibition of Dnmt1
Homo sapiens
NSC 137546
inhibition of Dnmt1
Homo sapiens
NSC 138419
inhibition of Dnmt1
Homo sapiens
NSC 14778
inhibition of Dnmt1; inhibition of Dnmt3b
Homo sapiens
NSC 158324
inhibition of Dnmt1
Homo sapiens
NSC 319745
inhibition of Dnmt1
Homo sapiens
NSC 348926
slight inhibition of Dnmt1
Homo sapiens
NSC 408488
inhibition of Dnmt1
Homo sapiens
NSC 54162
inhibition of Dnmt1
Homo sapiens
NSC 56071
inhibition of Dnmt1
Homo sapiens
NSC 57893
inhibition of Dnmt1
Homo sapiens
NSC 622444
inhibition of Dnmt1
Homo sapiens
RG108
slight inhibition of Dnmt1
Homo sapiens
S-adenosyl-L-homocysteine
product inhibition of Dnmt1; product inhibition of Dnmt3b
Homo sapiens
Localization (protein specific)
Localization
Commentary
Organism
GeneOntology No.
Textmining
nucleus
-
Homo sapiens
5634
-
Natural Substrates/ Products (Substrates) (protein specific)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
DNA + S-adenosyl-L-methionine
Homo sapiens
-
DNA containing 5-methylcytosine + S-adenosyl-L-homocysteine
-
-
?
Substrates and Products (Substrate) (protein specific)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
DNA + S-adenosyl-L-methionine
-
702694
Homo sapiens
DNA containing 5-methylcytosine + S-adenosyl-L-homocysteine
-
-
-
?
Subunits (protein specific)
Subunits
Commentary
Organism
More
Dnmt1 molecular modeling, overview
Homo sapiens
Other publictions for EC 2.1.1.37
No.
1st author
Pub Med
title
organims
journal
volume
pages
year
Activating Compound
Application
Cloned(Commentary)
Crystallization (Commentary)
Engineering
General Stability
Inhibitors
KM Value [mM]
Localization
Metals/Ions
Molecular Weight [Da]
Natural Substrates/ Products (Substrates)
Organic Solvent Stability
Organism
Oxidation Stability
Posttranslational Modification
Purification (Commentary)
Reaction
Renatured (Commentary)
Source Tissue
Specific Activity [micromol/min/mg]
Storage Stability
Substrates and Products (Substrate)
Subunits
Temperature Optimum [°C]
Temperature Range [°C]
Temperature Stability [°C]
Turnover Number [1/s]
pH Optimum
pH Range
pH Stability
Cofactor
Ki Value [mM]
pI Value
IC50 Value
Activating Compound (protein specific)
Application (protein specific)
Cloned(Commentary) (protein specific)
Cofactor (protein specific)
Crystallization (Commentary) (protein specific)
Engineering (protein specific)
General Stability (protein specific)
IC50 Value (protein specific)
Inhibitors (protein specific)
Ki Value [mM] (protein specific)
KM Value [mM] (protein specific)
Localization (protein specific)
Metals/Ions (protein specific)
Molecular Weight [Da] (protein specific)
Natural Substrates/ Products (Substrates) (protein specific)
Organic Solvent Stability (protein specific)
Oxidation Stability (protein specific)
Posttranslational Modification (protein specific)
Purification (Commentary) (protein specific)
Renatured (Commentary) (protein specific)
Source Tissue (protein specific)
Specific Activity [micromol/min/mg] (protein specific)
Storage Stability (protein specific)
Substrates and Products (Substrate) (protein specific)
Subunits (protein specific)
Temperature Optimum [°C] (protein specific)
Temperature Range [°C] (protein specific)
Temperature Stability [°C] (protein specific)
Turnover Number [1/s] (protein specific)
pH Optimum (protein specific)
pH Range (protein specific)
pH Stability (protein specific)
pI Value (protein specific)
Expression
General Information
General Information (protein specific)
Expression (protein specific)
KCat/KM [mM/s]
KCat/KM [mM/s] (protein specific)
733884
Militello
Cytosine DNA methylation influ ...
Escherichia coli
FEMS Microbiol. Lett.
350
100-106
2014
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1
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3
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-
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1
1
-
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-
735139
Konarev
Flexibility of the linker betw ...
Shigella sonnei
PLoS ONE
9
e93453
2014
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1
1
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1
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1
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733934
Giannetto
Influence of photoperiod on ex ...
Gadus morhua
Gene
519
222-230
2013
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4
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4
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9
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2
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2
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734682
Hussain
The mouse cytosine-5 RNA methy ...
Mus musculus
Mol. Cell. Biol.
33
1561-1570
2013
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2
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1
1
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735105
Stier
Cytosine-to-uracil deamination ...
Spiroplasma monobiae, Spiroplasma monobiae ATCC 33825
PLoS ONE
8
e79003
2013
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4
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2
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720868
Schulz
Structure Analysis of Entamoeb ...
Entamoeba histolytica
PLoS ONE
7
e38728
2012
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1
1
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1
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4
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2
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733530
Fujihara
Molecular cloning, expression, ...
Patiria pectinifera
Biosci. Biotechnol. Biochem.
76
1661-1671
2012
-
-
1
-
-
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1
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6
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3
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1
1
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4
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1
1
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733583
Slaska-Kiss
Complementation between inacti ...
Spiroplasma monobiae, Spiroplasma monobiae ATCC 33825
BMC Mol. Biol.
13
17
2012
-
-
1
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1
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3
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734791
Lukinavicius
Engineering the DNA cytosine-5 ...
Haemophilus parahaemolyticus
Nucleic Acids Res.
40
11594-11602
2012
-
-
-
1
6
-
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3
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1
6
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718577
Ryazanova
The study of the interaction o ...
Shigella sonnei
Analyst
136
1227-1233
2011
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704091
Chiou
Identification of prophage gen ...
Escherichia coli
Int. J. Med. Microbiol.
300
296-303
2010
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1
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1
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1
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3
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1
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2
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1
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1
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1
1
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706464
Tovy
A new nuclear function of the ...
Entamoeba histolytica
PLoS Pathog.
6
e1000775
2010
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1
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3
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718565
Ye
Fluorescence-based high-throug ...
Homo sapiens
Anal. Biochem.
401
168-172
2010
-
1
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1
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2
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1
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1
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1
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720441
Ye
Benzo[a]pyrene diol epoxide su ...
Homo sapiens
Mol. Cancer
9
93
2010
-
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3
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1
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702163
van Bemmel
DNA (Cytosine-C5) methyltransf ...
Haemophilus parahaemolyticus
Biochem. Pharmacol.
78
633-641
2009
-
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1
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5
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1
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1
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5
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702279
Wang
6-Thioguanine perturbs cytosin ...
Haemophilus parainfluenzae, Homo sapiens
Biochemistry
48
2290-2299
2009
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4
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2
2
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702336
Zhou
The recognition pathway for th ...
Haemophilus haemolyticus
Biochemistry
48
7807-7816
2009
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702450
Darii
Mutational analysis of the CG ...
Synechocystis sp.
Biochim. Biophys. Acta
1794
1654-1662
2009
-
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1
-
15
-
2
1
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1
-
2
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1
1
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2
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1
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1
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1
1
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15
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2
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1
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1
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1
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2
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1
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702568
Saavedra
SAR around (L)-S-adenosyl-L-ho ...
Homo sapiens
Bioorg. Med. Chem. Lett.
19
2747-2751
2009
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1
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22
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2
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3
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1
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2
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40
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2
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41
42
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2
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702694
Kuck
Novel and selective DNA methyl ...
Homo sapiens
Bioorg. Med. Chem.
18
822-829
2009
2
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-
17
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1
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2
17
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1
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703228
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Molecular modeling and molecul ...
Homo sapiens
ChemMedChem
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8
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2
1
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703545
Lodde
Localization of DNA methyltran ...
Bos taurus
Eur. J. Histochem.
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2009
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1
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703666
Sharma
Rice cytosine DNA methyltransf ...
Oryza sativa
FEBS J.
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Identification of an isoschizo ...
Mycoplasma arthritidis 158L3-1, Mycoplasma arthritidis
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705744
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Insensitivity of chloroplast g ...
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Mol. Gen. Genet.
282
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1
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705852
Phalke
Retrotransposon silencing and ...
Drosophila melanogaster
Nat. Genet.
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2009
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705985
Meister
Heterodimeric DNA methyltransf ...
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Nucleic Acids Res.
38
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1
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1
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1
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706073
Cavalieri Gomes
Immunolocalization of DNMT1 an ...
Homo sapiens
Pathobiology
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1
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706192
Chang
Isolation of DNA-methyltransfe ...
Fragaria x ananassa
Plant Cell Rep.
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2009
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706274
Teerawanichpan
Purification and characterizat ...
Oryza sativa
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8
1
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8
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1
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1
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1
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2
2
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2
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2
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706526
Borowczyk
Identification of a region of ...
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Proc. Natl. Acad. Sci. USA
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1
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685922
Hodge
IL-6 enhances the nuclear tran ...
Homo sapiens
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Guo
DNA (cytosine-5)-methyltransfe ...
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700956
Satta
Nicotine decreases DNA methylt ...
Mus musculus
Proc. Natl. Acad. Sci. USA
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1
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4
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702105
Weyrich
Mammalian DNMTs in the male ge ...
Drosophila melanogaster
Biochem. Cell Biol.
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2008
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702212
Pradhan
CXXC domain of human DNMT1 is ...
Homo sapiens
Biochemistry
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4
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1
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2
1
1
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1
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703146
Ooi
The colorful history of active ...
Homo sapiens, Mus musculus
Cell
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2008
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2
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1
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6
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2
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703330
Svedruzic
Mammalian cytosine DNA methylt ...
Homo sapiens
Curr. Med. Chem.
15
92-106
2008
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-
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4
1
1
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1
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1
-
1
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3
1
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-
-
-
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1
1
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1
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4
1
1
1
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1
-
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1
-
-
3
1
-
-
-
-
-
-
-
-
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-
703364
Kurihara
Maintenance of genomic methyla ...
Mus musculus
Dev. Biol.
313
335-346
2008
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1
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1
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1
1
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3
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2
1
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1
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1
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1
1
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703987
Balada
Transcript levels of DNA methy ...
Homo sapiens
Immunology
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1
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1
1
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1
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2
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704283
Timar
In vivo DNA protection by rela ...
Salmonella enterica
J. Bacteriol.
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1
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1
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2
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705118
Boland
Characterization of Dnmt3b:thy ...
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1
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4
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2
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2
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1
1
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705915
Brown
Regional-specific global cytos ...
Rattus norvegicus
Neurosci. Lett.
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49-53
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705961
Hoelzer
Presence and role of cytosine ...
Adeno-associated virus, Adeno-associated virus AAV, Frog virus 3, Frog virus 3 FV3, Gammaherpesvirinae, Iridoviridae, Lymphocystis disease virus 1, Lymphocystis disease virus 1 FLDV, Papillomaviridae, Polyomaviridae, Ranid herpesvirus 1, Ranid herpesvirus 2
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23
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706234
Singh
Cooperative activity of DNA me ...
Arabidopsis thaliana
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659456
Gowher
Mechanism of stimulation of ca ...
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Vilkaitis
Processive methylation of hemi ...
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Sharma
Residues distal from the activ ...
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Cohen
Determinants of cofactor bindi ...
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657772
Robertson
Effects of chromatin structure ...
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3
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658258
Yokochi
Dimethyl sulfoxide stimulates ...
Homo sapiens
Bioorg. Chem.
32
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2004
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658828
Nishiyama
Role of a nonselective de novo ...
Chlamydomonas reinhardtii
Genetics
168
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2004
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1
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659413
Hermann
The Dnmt1 DNA-(cytosine-C5)-me ...
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J. Biol. Chem.
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2004
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660029
Geiman
Isolation and characterization ...
Homo sapiens
Nucleic Acids Res.
32
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2004
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657740
Siedlecki
Establishment and functional v ...
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2003
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657752
Aubol
Murine DNA cytosine C(5)-methy ...
Mus musculus, Spirulina sp., Spirulina sp. MW-1
Biochem. Biophys. Res. Commun.
310
209-214
2003
2
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657995
Pradhan
Allosteric activator domain of ...
Homo sapiens
Biochemistry
42
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2003
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7
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7
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658383
Fang
Tea polyphenol (-)-epigallocat ...
Homo sapiens
Cancer Res.
63
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2003
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659080
Suetake
Distinct enzymatic properties ...
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2003
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10
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2
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10
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6
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2
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10
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659239
Hermann
The human Dnmt2 has residual D ...
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1
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659271
Wada
Preferential de novo methylati ...
Nicotiana tabacum
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278
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2003
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659559
Datta
Biochemical fractionation reve ...
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2003
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659927
Casillas
Transcriptional control of the ...
Homo sapiens
Mol. Cell. Biochem.
252
33-43
2003
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659933
Liu
Endogenous assays of DNA methy ...
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Mol. Cell. Biol.
23
2709-2719
2003
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485295
Brank
Optimization of baculovirus-me ...
Mus musculus
Protein Expr. Purif.
25
31-40
2002
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1
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1
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1
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1
1
4
1
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2
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485293
di Giaimo
DNA (cytosine-5) methyltransfe ...
Paracentrotus lividus
Gene
272
199-208
2001
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1
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485304
Bacolla
Recombinant human DNA (cytosin ...
Homo sapiens
J. Biol. Chem.
276
18605-18613
2001
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485307
Aoki
Enzymatic properties of de nov ...
Mus musculus
Nucleic Acids Res.
29
3506-3512
2001
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12
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2
1
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2
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12
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1
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1
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485300
Pradhan
Hybrid mouse-prokaryotic DNA ( ...
Mus musculus
EMBO J.
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2000
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1
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1
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485310
Rasko
DNA bending induced by DNA (cy ...
Haemophilus aegyptius, Haemophilus haemolyticus, Haemophilus parainfluenzae, Lysinibacillus sphaericus, Salmonella enterica subsp. enterica serovar Infantis, Staphylococcus aureus
Nucleic Acids Res.
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12
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485294
Deng
Downregulation of DNA (cytosin ...
Rattus norvegicus
Mol. Brain Res.
71
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485299
del Gaudio
Characterization of a new vari ...
Chaetopterus variopedatus
FEBS Lett.
460
380-384
1999
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485303
Pradhan
Recombinant human DNA (cytosin ...
Homo sapiens
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274
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Sethmann
M.(f)BssHII, a novel cytosine- ...
Geobacillus stearothermophilus
EMBO J.
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3502-3508
1999
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1
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Kimura
Expression of rat DNA (cytosin ...
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Pradhan
Isolation, characterization an ...
Pisum sativum
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DNA (cytosine-5)-methyltransfe ...
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Schumann
M.BssHII, a multispecific cyto ...
Geobacillus stearothermophilus, Geobacillus stearothermophilus H3
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Cloning and analysis of the ge ...
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Enzymic C5-cytosine methylatio ...
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485297
Laayoun
Methylation of slipped duplexe ...
Homo sapiens
Nucleic Acids Res.
23
1584-1589
1995
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485301
Tollefsbol
Mammalian DNA (cytosine-5-)-me ...
Mus musculus
J. Biol. Chem.
270
18543-18550
1995
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1
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1
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485296
Noyer-Weidner
M.f3TII: a new monospecific DN ...
Bacillus subtilis phage PHI3T, Bacillus subtilis phage rho11S
Nucleic Acids Res.
22
5517-5523
1994
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4
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485127
Roberts
Restriction enzymes and their ...
cellular organism
Nucleic Acids Res.
20
2167-2180
1992
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1
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485291
Dubey
Purification and characterizat ...
Moraxella sp.
Nucleic Acids Res.
20
1579-1585
1992
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2
1
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485285
Giordano
Purification and properties of ...
Oryza sativa
Biochem. Biophys. Res. Commun.
177
711-719
1991
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2
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1
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2
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1
1
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485302
Flynn
Murine DNA (cytosine-5-)methyl ...
Mus musculus
Biochemistry
37
15162-15169
1989
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4
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3
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4
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485281
Tomassetti
Isolation and characterization ...
Mus musculus
Biochim. Biophys. Acta
951
201-212
1988
1
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1
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485290
Theiss
DNA methylation in wheat. Puri ...
Triticum aestivum
Eur. J. Biochem.
167
89-96
1987
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7
1
1
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1
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1
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485283
Pfeifer
Purification and characterizat ...
Homo sapiens, Mus musculus
J. Biol. Chem.
260
13787-13793
1985
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4
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2
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4
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2
2
4
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2
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485288
McIntosh
Synthesis and characterization ...
Homo sapiens
Biochemistry
24
4806-4814
1985
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1
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485282
Santi
On the mechanism of inhibition ...
Escherichia coli
Cell
33
9-10
1983
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2
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1
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485286
Pfeifer
Isolation and characterization ...
Homo sapiens
Biochim. Biophys. Acta
740
323-330
1983
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1
3
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1
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1
1
2
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485287
Sano
Characterization of DNA methyl ...
Bos taurus
Eur. J. Biochem.
135
181-185
1983
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2
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1
2
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485284
Gunthert
Restriction and modification i ...
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J. Biol. Chem.
256
9340-9345
1981
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1
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485280
Cox
Polyamines inhibit DNA methyla ...
Rattus norvegicus
Biochem. Biophys. Res. Commun.
86
594-598
1979
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3
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1
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485278
Simon
DNA-methylase from regeneratin ...
Rattus norvegicus
Nucleic Acids Res.
5
2153-2167
1978
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2
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1
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485289
Buryanov
Site specificity and chromatog ...
Escherichia coli
FEBS Lett.
88
251-254
1978
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2
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485277
Turnbull
DNA methylase: purification fr ...
Mus musculus
Nucleic Acids Res.
3
677-695
1976
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1
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1
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1
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485275
Roy
DNA methylase from HeLa cell n ...
Homo sapiens
Nucleic Acids Res.
2
1669-1684
1975
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1
1
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1
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1
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1
1
1
2
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1
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485276
Sneider
S-Adenosylmethionine: DNA-cyto ...
Rattus norvegicus
Nucleic Acids Res.
2
1685-1700
1975
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2
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1
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2
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1
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485279
Gold
The enzymatic methylation of r ...
Escherichia coli
J. Biol. Chem.
239
3858-3865
1964
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