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6DQ5
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BU of 6dq5 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:To be determined
To Be Published
2QRV
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BU of 2qrv by Molmil
Structure of Dnmt3a-Dnmt3L C-terminal domain complex
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Jia, D, Cheng, X.
Deposit date:2007-07-29
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structure of Dnmt3a bound to Dnmt3L suggests a model for de novo DNA methylation.
Nature, 449, 2007
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:To be determined
To Be Published
5SZX
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BU of 5szx by Molmil
Epstein-Barr virus Zta DNA binding domain homodimer in complex with methylated DNA
Descriptor: DNA (5'-D(*AP*AP*GP*CP*AP*CP*TP*GP*AP*GP*(5CM)P*GP*AP*TP*GP*AP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*TP*CP*AP*TP*(5CM)P*GP*CP*TP*CP*AP*GP*TP*GP*CP*T)-3'), PHOSPHATE ION, ...
Authors:Hong, S, Horton, J.R, Cheng, X.
Deposit date:2016-08-15
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Methyl-dependent and spatial-specific DNA recognition by the orthologous transcription factors human AP-1 and Epstein-Barr virus Zta.
Nucleic Acids Res., 45, 2017
5T0U
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BU of 5t0u by Molmil
CTCF ZnF2-7 and DNA complex structure
Descriptor: DNA (5'-D(*CP*CP*TP*CP*AP*CP*TP*AP*GP*CP*GP*CP*CP*CP*CP*CP*TP*GP*CP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*GP*GP*CP*GP*CP*TP*AP*GP*TP*GP*AP*GP*G)-3'), Transcriptional repressor CTCF, ...
Authors:Hashimoto, H, Wang, D, Cheng, X.
Deposit date:2016-08-16
Release date:2017-05-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
5T00
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BU of 5t00 by Molmil
Human CTCF ZnF3-7 and methylated DNA complex
Descriptor: DNA (5'-GCCAGCAGGGGG(5CM)GCTA-3'), DNA (5'-TAG(5CM)GCCCCCTGCTGGC-3'), Transcriptional repressor CTCF, ...
Authors:Hashimoto, H, Wang, D, Cheng, X.
Deposit date:2016-08-15
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
5T01
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BU of 5t01 by Molmil
Human c-Jun DNA binding domain homodimer in complex with methylated DNA
Descriptor: DNA (5'-D(*AP*AP*TP*GP*GP*AP*(5CM)P*GP*AP*GP*TP*CP*AP*TP*AP*GP*GP*AP*G)-3'), DNA (5'-D(P*CP*TP*CP*CP*TP*AP*TP*GP*AP*CP*TP*CP*GP*TP*CP*CP*AP*T)-3'), Transcription factor AP-1
Authors:Hong, S, Horton, J.R, Cheng, X.
Deposit date:2016-08-15
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Methyl-dependent and spatial-specific DNA recognition by the orthologous transcription factors human AP-1 and Epstein-Barr virus Zta.
Nucleic Acids Res., 45, 2017
3KV5
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BU of 3kv5 by Molmil
Structure of KIAA1718, human Jumonji demethylase, in complex with N-oxalylglycine
Descriptor: FE (II) ION, JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, ...
Authors:Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
Deposit date:2009-11-29
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3KV9
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BU of 3kv9 by Molmil
Structure of KIAA1718 Jumonji domain
Descriptor: FE (II) ION, JmjC domain-containing histone demethylation protein 1D, OXYGEN MOLECULE
Authors:Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
Deposit date:2009-11-29
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3KVB
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BU of 3kvb by Molmil
Structure of KIAA1718 Jumonji domain in complex with N-oxalylglycine
Descriptor: JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
Deposit date:2009-11-29
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3KV4
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BU of 3kv4 by Molmil
Structure of PHF8 in complex with histone H3
Descriptor: 1,2-ETHANEDIOL, FE (II) ION, Histone H3-like, ...
Authors:Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
Deposit date:2009-11-29
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3KVA
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BU of 3kva by Molmil
Structure of KIAA1718 Jumonji domain in complex with alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ...
Authors:Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
Deposit date:2009-11-29
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
3KV6
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BU of 3kv6 by Molmil
Structure of KIAA1718, human Jumonji demethylase, in complex with alpha-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ...
Authors:Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
Deposit date:2009-11-29
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases.
Nat.Struct.Mol.Biol., 17, 2010
4EW4
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BU of 4ew4 by Molmil
mouse MBD4 glycosylase domain in complex with DNA containing a ribose sugar
Descriptor: DNA (5'-D(*CP*CP*AP*TP*GP*(3DR)P*GP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'), Methyl-CpG-binding domain protein 4, ...
Authors:Hashimoto, H, Zhang, X, Cheng, X.
Deposit date:2012-04-26
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.791 Å)
Cite:Excision of thymine and 5-hydroxymethyluracil by the MBD4 DNA glycosylase domain: structural basis and implications for active DNA demethylation.
Nucleic Acids Res., 40, 2012
4F0Q
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BU of 4f0q by Molmil
MspJI Restriction Endonuclease - P21 Form
Descriptor: MAGNESIUM ION, Restriction endonuclease
Authors:Horton, J.R, Mabuchi, M, Cohen-Karni, D, Zhang, X, Griggs, R, Samaranayake, M, Roberts, R.J, Zheng, Y, Cheng, X.
Deposit date:2012-05-04
Release date:2012-08-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.046 Å)
Cite:Structure and cleavage activity of the tetrameric MspJI DNA modification-dependent restriction endonuclease.
Nucleic Acids Res., 40, 2012
4F0P
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BU of 4f0p by Molmil
MspJI Restriction Endonuclease - P31 Form
Descriptor: MAGNESIUM ION, Restriction endonuclease
Authors:Horton, J.R, Mabuchi, M, Cohen-Karni, D, Zhang, X, Griggs, R, Samaranayake, M, Roberts, R.J, Zheng, Y, Cheng, X.
Deposit date:2012-05-04
Release date:2012-08-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structure and cleavage activity of the tetrameric MspJI DNA modification-dependent restriction endonuclease.
Nucleic Acids Res., 40, 2012
1G55
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BU of 1g55 by Molmil
Structure of human DNMT2, an enigmatic DNA methyltransferase homologue
Descriptor: BETA-MERCAPTOETHANOL, DNA CYTOSINE METHYLTRANSFERASE DNMT2, GLYCEROL, ...
Authors:Dong, A, Yoder, J.A, Zhang, X, Zhou, L, Bestor, T.H, Cheng, X.
Deposit date:2000-10-30
Release date:2001-01-17
Last modified:2018-06-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human DNMT2, an enigmatic DNA methyltransferase homolog that displays denaturant-resistant binding to DNA.
Nucleic Acids Res., 29, 2001
7SFD
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BU of 7sfd by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3543105A
Descriptor: (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFF
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BU of 7sff by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3852279B
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFC
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BU of 7sfc by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3735967A
Descriptor: 1,2-ETHANEDIOL, DNA (12-MER), DNA (cytosine-5)-methyltransferase 1, ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFG
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BU of 7sfg by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Cofactor SAM
Descriptor: 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 1, DNA Strand 1, ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFE
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BU of 7sfe by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830334A
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
2G1P
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BU of 2g1p by Molmil
Structure of E. coli DNA adenine methyltransferase (DAM)
Descriptor: 5'-D(*TP*CP*TP*AP*GP*AP*TP*CP*TP*AP*GP*A)-3', DNA adenine methylase, GLYCEROL, ...
Authors:Horton, J.R, Liebert, K, Bekes, M, Jeltsch, A, Cheng, X.
Deposit date:2006-02-14
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure and substrate recognition of the Escherichia coli DNA adenine methyltransferase.
J.Mol.Biol., 358, 2006

221051

数据于2024-06-12公开中

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