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9MHT
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BU of 9mht by Molmil
CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX
Descriptor: 5'-D(P*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*(3DR)P*GP*CP*AP*TP*GP*G)-3', CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI, ...
Authors:O'Gara, M, Horton, J.R, Roberts, R.J, Cheng, X.
Deposit date:1998-08-07
Release date:1998-12-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base.
Nat.Struct.Biol., 5, 1998
4M9E
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BU of 4m9e by Molmil
Structure of Klf4 zinc finger DNA binding domain in complex with methylated DNA
Descriptor: ACETATE ION, DNA (5'-D(*GP*AP*GP*GP*(5CM)P*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*(5CM)P*GP*CP*CP*TP*C)-3'), ...
Authors:Liu, Y, Olanrewaju, Y.O, Blumenthal, R.M, Zhang, X, Cheng, X.
Deposit date:2013-08-14
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:Structural basis for Klf4 recognition of methylated DNA.
Nucleic Acids Res., 42, 2014
4LT5
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BU of 4lt5 by Molmil
Structure of a Naegleria Tet-like dioxygenase in complex with 5-methylcytosine DNA
Descriptor: 1,2-ETHANEDIOL, DNA, MANGANESE (II) ION, ...
Authors:Hashimoto, H, Pais, J.E, Zhang, X, Saleh, L, Fu, Z.Q, Dai, N, Correa, I.R, Roberts, R.J, Zheng, Y, Cheng, X.
Deposit date:2013-07-23
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.893 Å)
Cite:Structure of a Naegleria Tet-like dioxygenase in complex with 5-methylcytosine DNA.
Nature, 506, 2014
4M9V
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BU of 4m9v by Molmil
Zfp57 mutant (E182Q) in complex with 5-carboxylcytosine DNA
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Liu, Y, Olanrewaju, Y.O, Zhang, X, Cheng, X.
Deposit date:2013-08-15
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.969 Å)
Cite:DNA recognition of 5-carboxylcytosine by a zfp57 mutant at an atomic resolution of 0.97 angstrom.
Biochemistry, 52, 2013
3SWR
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BU of 3swr by Molmil
Structure of human DNMT1 (601-1600) in complex with Sinefungin
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (cytosine-5)-methyltransferase 1, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2011-07-14
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Structure of human DNMT1 (residues 600-1600) in complex with Sinefungin
To be Published
4QW2
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BU of 4qw2 by Molmil
FMRP N-terminal domain (R138Q)
Descriptor: 1,2-ETHANEDIOL, Fragile X mental retardation protein 1, LEAD (II) ION
Authors:Myrick, L.K, Hashimoto, H, Cheng, X, Warren, S.T.
Deposit date:2014-07-16
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.989 Å)
Cite:Human FMRP contains an integral tandem Agenet (Tudor) and KH motif in the amino terminal domain.
Hum.Mol.Genet., 24, 2015
4QVZ
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BU of 4qvz by Molmil
FMRP N-terminal domain
Descriptor: 1,2-ETHANEDIOL, Fragile X mental retardation protein 1
Authors:Myrick, L.K, Hashimoto, H, Cheng, X, Warren, S.T.
Deposit date:2014-07-16
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.195 Å)
Cite:Human FMRP contains an integral tandem Agenet (Tudor) and KH motif in the amino terminal domain.
Hum.Mol.Genet., 24, 2015
4RNU
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BU of 4rnu by Molmil
G303 Circular Permutation of Old Yellow Enzyme
Descriptor: FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, PHOSPHATE ION
Authors:Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S.
Deposit date:2014-10-26
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.677 Å)
Cite:STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
4RNV
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BU of 4rnv by Molmil
G303 Circular Permutation of Old Yellow Enzyme with the Inhibitor p-Hydroxybenzaldehyde
Descriptor: FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1, P-HYDROXYBENZALDEHYDE
Authors:Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S.
Deposit date:2014-10-26
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.473 Å)
Cite:STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
4RNW
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BU of 4rnw by Molmil
Truncated version of the G303 Circular Permutation of Old Yellow Enzyme
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S.
Deposit date:2014-10-26
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
4RNX
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BU of 4rnx by Molmil
K154 Circular Permutation of Old Yellow Enzyme
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NADPH dehydrogenase 1
Authors:Horton, J.R, Daugherty, A.B, Cheng, X, Lutz, S.
Deposit date:2014-10-26
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF CIRCULAR PERMUTATION ON THE ACTIVE SITE OF OLD YELLOW ENZYME.
ACS Catal, 5, 2015
6OX1
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BU of 6ox1 by Molmil
SETD3 in Complex with an Actin Peptide with Target Histidine Partially Methylated
Descriptor: 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX3
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BU of 6ox3 by Molmil
SETD3 in Complex with an Actin Peptide with His73 Replaced with Lysine
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.785 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX0
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BU of 6ox0 by Molmil
SETD3 in Complex with an Actin Peptide with Sinefungin Replacing SAH as Cofactor
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX2
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BU of 6ox2 by Molmil
SETD3in Complex with an Actin Peptide with the Target Histidine Fully Methylated
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, GLYCEROL, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX4
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BU of 6ox4 by Molmil
A SETD3 Mutant (N255A) in Complex with an Actin Peptide
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.294 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
6OX5
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BU of 6ox5 by Molmil
A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine
Descriptor: 1,2-ETHANEDIOL, Actin Peptide, Actin-histidine N-methyltransferase, ...
Authors:Horton, J.R, Dai, S, Cheng, X.
Deposit date:2019-05-13
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Structural basis for the target specificity of actin histidine methyltransferase SETD3.
Nat Commun, 10, 2019
8F8Y
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BU of 8f8y by Molmil
PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
8F8Z
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BU of 8f8z by Molmil
PHF2 (PHD+JMJ) in Complex with H3 Histone N-Terminal Peptide
Descriptor: 1,2-ETHANEDIOL, H3 N-Terminal Peptide, Lysine-specific demethylase PHF2, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2022-11-22
Release date:2023-01-18
Last modified:2023-02-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
8FS1
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BU of 8fs1 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-01-09
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
8FS2
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BU of 8fs2 by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907)
Descriptor: 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ...
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-01-09
Release date:2023-05-10
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
6BH1
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BU of 6bh1 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52)
Descriptor: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGV
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BU of 6bgv by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40)
Descriptor: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.592 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH5
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BU of 6bh5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48)
Descriptor: 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH0
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BU of 6bh0 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N51)
Descriptor: 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.985 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018

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