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PDB: 372 results

5V3M
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BU of 5v3m by Molmil
mouseZFP568-ZnF1-11 in complex with DNA
Descriptor: DNA (28-MER), ZINC ION, Zinc finger protein 568
Authors:Patel, A, Cheng, X.
Deposit date:2017-03-07
Release date:2018-03-07
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:DNA Conformation Induces Adaptable Binding by Tandem Zinc Finger Proteins.
Cell, 173, 2018
5KE7
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BU of 5ke7 by Molmil
mouse Klf4 ZnF1-3 and TpG/MpA sequence DNA complex structure
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*(5CM)P*AP*CP*CP*TP*C)-3'), ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-06-09
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Distinctive Klf4 mutants determine preference for DNA methylation status.
Nucleic Acids Res., 44, 2016
5K5I
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BU of 5k5i by Molmil
Homo sapiens CCCTC-binding factor (CTCF) ZnF5-8 and DNA complex structure in space group P65
Descriptor: DNA (5'-D(*CP*CP*CP*TP*GP*CP*TP*GP*GP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*G)-3'), SULFATE ION, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-05-23
Release date:2017-05-24
Last modified:2024-03-06
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
5KE6
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BU of 5ke6 by Molmil
mouse Klf4 ZnF1-3 and TpG/CpA sequence DNA complex structure
Descriptor: DNA (5'-D(*GP*AP*GP*GP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*AP*CP*CP*TP*C)-3'), Krueppel-like factor 4, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-06-09
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Distinctive Klf4 mutants determine preference for DNA methylation status.
Nucleic Acids Res., 44, 2016
5KEB
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BU of 5keb by Molmil
mouse Klf4 ZnF1-3 (E446D) and CpG/CpG sequence DNA complex structure: Form II
Descriptor: DNA (5'-D(*GP*AP*GP*GP*CP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*GP*CP*CP*TP*C)-3'), Krueppel-like factor 4, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-06-09
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:Distinctive Klf4 mutants determine preference for DNA methylation status.
Nucleic Acids Res., 44, 2016
1PEG
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BU of 1peg by Molmil
Structural basis for the product specificity of histone lysine methyltransferases
Descriptor: Histone H3, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ...
Authors:Zhang, X, Yang, Z, Khan, S.I, Horton, J.R, Tamaru, H, Selker, E.U, Cheng, X.
Deposit date:2003-05-21
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for the product specificity of histone lysine methyltransferases
Mol.Cell, 12, 2003
5K5L
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BU of 5k5l by Molmil
Homo sapiens CCCTC-binding factor (CTCF) ZnF6-8 and H19 sequence DNA complex structure
Descriptor: DNA (5'-D(*GP*TP*TP*GP*CP*CP*GP*CP*GP*TP*G)-3'), DNA (5'-D(P*AP*CP*GP*CP*GP*GP*CP*AP*AP*C)-3'), Transcriptional repressor CTCF, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-05-23
Release date:2017-05-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.125 Å)
Cite:Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
5K5H
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BU of 5k5h by Molmil
Homo sapiens CCCTC-binding factor (CTCF) ZnF4-7 and DNA complex structure
Descriptor: DNA (5'-D(*CP*AP*GP*CP*AP*GP*GP*GP*GP*GP*CP*GP*C)-3'), DNA (5'-D(*CP*GP*CP*CP*CP*CP*CP*TP*GP*CP*TP*GP*G)-3'), Transcriptional repressor CTCF, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-05-23
Release date:2017-05-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.108 Å)
Cite:Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
5KE8
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BU of 5ke8 by Molmil
mouse Klf4 E446P ZnF1-3 and MpG/MpG sequence DNA complex structure
Descriptor: 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'), Krueppel-like factor 4, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-06-09
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Distinctive Klf4 mutants determine preference for DNA methylation status.
Nucleic Acids Res., 44, 2016
5K5J
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BU of 5k5j by Molmil
Homo sapiens CCCTC-binding factor (CTCF) ZnF5-8 and DNA complex structure in space group P41212
Descriptor: ACETATE ION, DNA (5'-D(*CP*CP*CP*TP*GP*CP*TP*GP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*TP*TP*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*G)-3'), ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-05-23
Release date:2017-05-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.287 Å)
Cite:Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
5KE9
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BU of 5ke9 by Molmil
mouse Klf4 E446P ZnF1-3 and TpG/CpA sequence DNA complex structure
Descriptor: DNA (5'-D(*GP*AP*GP*GP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*AP*CP*CP*TP*C)-3'), Krueppel-like factor 4, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-06-09
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.336 Å)
Cite:Distinctive Klf4 mutants determine preference for DNA methylation status.
Nucleic Acids Res., 44, 2016
5KEA
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BU of 5kea by Molmil
mouse Klf4 ZnF1-3 (E446D) and CpG/CpG sequence DNA complex structure: Form I
Descriptor: DNA (5'-D(*GP*AP*GP*GP*CP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*GP*CP*CP*TP*C)-3'), Krueppel-like factor 4, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-06-09
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.458 Å)
Cite:Distinctive Klf4 mutants determine preference for DNA methylation status.
Nucleic Acids Res., 44, 2016
5KKQ
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BU of 5kkq by Molmil
Homo sapiens CCCTC-binding factor (CTCF) ZnF3-7 and DNA complex structure
Descriptor: DNA (5'-D(*GP*CP*CP*AP*GP*CP*AP*GP*GP*GP*GP*GP*CP*GP*CP*TP*A)-3'), DNA (5'-D(*TP*AP*GP*CP*GP*CP*CP*CP*CP*CP*TP*GP*CP*TP*GP*GP*C)-3'), Transcriptional repressor CTCF, ...
Authors:Hashimoto, H, Wang, D, Cheng, X.
Deposit date:2016-06-22
Release date:2017-05-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.744 Å)
Cite:Structural Basis for the Versatile and Methylation-Dependent Binding of CTCF to DNA.
Mol. Cell, 66, 2017
7MHT
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BU of 7mht by Molmil
CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX
Descriptor: 5'-D(P*CP*CP*AP*TP*GP*AP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*CP*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:1998-08-05
Release date:1998-11-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base.
Nat.Struct.Biol., 5, 1998
6UKG
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BU of 6ukg by Molmil
HhaI endonuclease in Complex With DNA in space group P21 (pH 4.2)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2019-10-04
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
6DQB
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BU of 6dqb by Molmil
LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, ...
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 (1.791 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ8
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BU of 6dq8 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ...
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 (1.46 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
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 (1.587 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQF
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BU of 6dqf by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
Descriptor: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION
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 (1.688 Å)
Cite:To be determined
To Be Published
6DQA
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BU of 6dqa by Molmil
Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ...
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 (1.888 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQC
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BU of 6dqc by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
Descriptor: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-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 (1.755 Å)
Cite:To be determined
To Be Published
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
6DQ4
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BU of 6dq4 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
Descriptor: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
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 (1.392 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ9
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BU of 6dq9 by Molmil
Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
Descriptor: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
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 (1.748 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6V62
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BU of 6v62 by Molmil
SETD3 double mutant (N255F/W273A) in Complex with an Actin Peptide with His73 Replaced with Lysine
Descriptor: 1,2-ETHANEDIOL, Actin, cytoplasmic 1, ...
Authors:Dai, S, Horton, J.R, Cheng, X.
Deposit date:2019-12-04
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020

220472

数据于2024-05-29公开中

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