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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
分子名称: 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
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献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
分子名称: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献To be determined
To Be Published
2QRV
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BU of 2qrv by Molmil
Structure of Dnmt3a-Dnmt3L C-terminal domain complex
分子名称: DNA (cytosine-5)-methyltransferase 3-like, DNA (cytosine-5)-methyltransferase 3A, S-ADENOSYL-L-HOMOCYSTEINE
著者Jia, D, Cheng, X.
登録日2007-07-29
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献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
分子名称: 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, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献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
分子名称: 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, ...
著者Hong, S, Horton, J.R, Cheng, X.
登録日2016-08-15
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.251 Å)
主引用文献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
分子名称: 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, ...
著者Hashimoto, H, Wang, D, Cheng, X.
登録日2016-08-16
公開日2017-05-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.199 Å)
主引用文献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
分子名称: DNA (5'-GCCAGCAGGGGG(5CM)GCTA-3'), DNA (5'-TAG(5CM)GCCCCCTGCTGGC-3'), Transcriptional repressor CTCF, ...
著者Hashimoto, H, Wang, D, Cheng, X.
登録日2016-08-15
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献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
分子名称: 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
著者Hong, S, Horton, J.R, Cheng, X.
登録日2016-08-15
公開日2017-03-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献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
分子名称: FE (II) ION, JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献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
分子名称: FE (II) ION, JmjC domain-containing histone demethylation protein 1D, OXYGEN MOLECULE
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献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
分子名称: JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, NICKEL (II) ION, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, FE (II) ION, Histone H3-like, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献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
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献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
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ...
著者Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X.
登録日2009-11-29
公開日2009-12-22
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献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
分子名称: 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, ...
著者Hashimoto, H, Zhang, X, Cheng, X.
登録日2012-04-26
公開日2012-07-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.791 Å)
主引用文献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
分子名称: MAGNESIUM ION, Restriction endonuclease
著者Horton, J.R, Mabuchi, M, Cohen-Karni, D, Zhang, X, Griggs, R, Samaranayake, M, Roberts, R.J, Zheng, Y, Cheng, X.
登録日2012-05-04
公開日2012-08-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.046 Å)
主引用文献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
分子名称: MAGNESIUM ION, Restriction endonuclease
著者Horton, J.R, Mabuchi, M, Cohen-Karni, D, Zhang, X, Griggs, R, Samaranayake, M, Roberts, R.J, Zheng, Y, Cheng, X.
登録日2012-05-04
公開日2012-08-08
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献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
分子名称: BETA-MERCAPTOETHANOL, DNA CYTOSINE METHYLTRANSFERASE DNMT2, GLYCEROL, ...
著者Dong, A, Yoder, J.A, Zhang, X, Zhou, L, Bestor, T.H, Cheng, X.
登録日2000-10-30
公開日2001-01-17
最終更新日2018-06-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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
分子名称: (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), ...
著者Horton, J.R, Pathuri, S, Cheng, X.
登録日2021-10-03
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献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
分子名称: (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), ...
著者Horton, J.R, Pathuri, S, Cheng, X.
登録日2021-10-03
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, DNA (12-MER), DNA (cytosine-5)-methyltransferase 1, ...
著者Horton, J.R, Pathuri, S, Cheng, X.
登録日2021-10-03
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 1, DNA Strand 1, ...
著者Horton, J.R, Pathuri, S, Cheng, X.
登録日2021-10-03
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献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
分子名称: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
著者Horton, J.R, Pathuri, S, Cheng, X.
登録日2021-10-03
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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)
分子名称: 5'-D(*TP*CP*TP*AP*GP*AP*TP*CP*TP*AP*GP*A)-3', DNA adenine methylase, GLYCEROL, ...
著者Horton, J.R, Liebert, K, Bekes, M, Jeltsch, A, Cheng, X.
登録日2006-02-14
公開日2006-11-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure and substrate recognition of the Escherichia coli DNA adenine methyltransferase.
J.Mol.Biol., 358, 2006

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