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PDB: 377 results

6DQ6
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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
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
2ZO2
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BU of 2zo2 by Molmil
Mouse NP95 SRA domain non-specific DNA complex
Descriptor: DNA (5'-D(*DAP*DAP*DCP*DTP*DGP*DCP*DGP*DCP*DAP*DGP*DTP*DT)-3'), E3 ubiquitin-protein ligase UHRF1, PHOSPHATE ION
Authors:Hashimoto, H, Horton, J.R, Cheng, X.
Deposit date:2008-05-05
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
2H11
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BU of 2h11 by Molmil
Amino-terminal Truncated Thiopurine S-Methyltransferase Complexed with S-Adenosyl-L-Homocysteine
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, THIOCYANATE ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2006-05-15
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural basis of allele variation of human thiopurine-S-methyltransferase.
Proteins, 67, 2007
8S9M
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BU of 8s9m by Molmil
DNA cytosine-N4 methyltransferase (residues 79-324) from the Bdelloid rotifer Adineta vaga
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
1XSZ
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BU of 1xsz by Molmil
The structure of RalF
Descriptor: guanine nucleotide exchange protein
Authors:Amor, J.C, Swails, J, Roy, C.R, Nagai, H, Ingmundson, A, Cheng, X, Kahn, R.A.
Deposit date:2004-10-20
Release date:2004-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:The structure of RalF, an ADP-ribosylation factor guanine nucleotide exchange factor from Legionella pneumophila, reveals the presence of a cap over the active site
J.Biol.Chem., 280, 2005
1XT0
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BU of 1xt0 by Molmil
The Structure of N-terminal Sec7 domain of RalF
Descriptor: guanine nucleotide exchange protein
Authors:Amor, J.C, Swails, J, Roy, C.R, Nagai, H, Ingmundson, A, Cheng, X, Kahn, R.A.
Deposit date:2004-10-20
Release date:2004-11-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:The structure of RalF, an ADP-ribosylation factor guanine nucleotide exchange factor from Legionella pneumophila, reveals the presence of a cap over the active site
J.Biol.Chem., 280, 2005
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
2ZO1
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BU of 2zo1 by Molmil
Mouse NP95 SRA domain DNA specific complex 2
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), ...
Authors:Hashimoto, H, Horton, J.R, Cheng, X.
Deposit date:2008-05-05
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
2ZO0
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BU of 2zo0 by Molmil
mouse NP95 SRA domain DNA specific complex 1
Descriptor: DNA (5'-D(*DGP*DTP*DCP*DAP*DGP*(5CM)P*DGP*DCP*DAP*DAP*DTP*DGP*DG)-3'), DNA (5'-D(*DTP*DCP*DCP*DAP*DTP*DGP*DCP*DGP*DCP*DTP*DGP*DAP*DC)-3'), E3 ubiquitin-protein ligase UHRF1
Authors:Hashimoto, H, Horton, J.R, Cheng, X.
Deposit date:2008-05-05
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The SRA domain of UHRF1 flips 5-methylcytosine out of the DNA helix
Nature, 455, 2008
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
4E12
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BU of 4e12 by Molmil
Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase
Descriptor: Diketoreductase, GLYCEROL, PENTAETHYLENE GLYCOL, ...
Authors:Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y.
Deposit date:2012-03-05
Release date:2012-11-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
4EW0
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BU of 4ew0 by Molmil
mouse MBD4 glycosylase domain in complex with a G:5hmU (5-hydroxymethyluracil) mismatch
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*TP*GP*(5HU)P*GP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'), ...
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 (2.39 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
8S9N
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BU of 8s9n by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - C2 crystal form
Descriptor: 1,2-ETHANEDIOL, DNA cytosine-N4 methyltransferase, SINEFUNGIN
Authors:Zhou, J, Horton, J.R, Cheng, X.
Deposit date:2023-03-29
Release date:2023-08-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Biochemical and structural characterization of the first-discovered metazoan DNA cytosine-N4 methyltransferase from the bdelloid rotifer Adineta vaga.
J.Biol.Chem., 299, 2023
4DYD
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BU of 4dyd by Molmil
Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase
Descriptor: Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y.
Deposit date:2012-02-28
Release date:2012-11-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012
8SSU
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BU of 8ssu by Molmil
ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 19mer DNA
Descriptor: 1,2-ETHANEDIOL, DNA (19-MER) Strand I, DNA (19-MER) Strand II, ...
Authors:Horton, J.R, Yang, J, Cheng, X.
Deposit date:2023-05-08
Release date:2023-08-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8SST
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BU of 8sst by Molmil
ZnFs 1-7 of CCCTC-binding factor (CTCF) K365T Mutant Complexed with 23mer
Descriptor: 1,2-ETHANEDIOL, DNA Strand (23mer) I, DNA Strand (23mer) II, ...
Authors:Horton, J.R, Yang, J, Cheng, X.
Deposit date:2023-05-08
Release date:2023-08-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8SSS
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BU of 8sss by Molmil
ZnFs 1-7 of CCCTC-binding factor (CTCF) Complexed with 23mer
Descriptor: 1,2-ETHANEDIOL, DNA Strand (23mer) I, DNA Strand (23mer) II, ...
Authors:Horton, J.R, Yang, J, Cheng, X.
Deposit date:2023-05-08
Release date:2023-08-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8SSQ
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BU of 8ssq by Molmil
ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-4
Descriptor: DNA (35-MER) Strand 2, DNA (35-MER) Strand I, SODIUM ION, ...
Authors:Horton, J.R, Yang, J, Cheng, X.
Deposit date:2023-05-08
Release date:2023-08-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8SSR
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BU of 8ssr by Molmil
ZnFs 3-11 of CCCTC-binding factor (CTCF) Complexed with 35mer DNA 35-20
Descriptor: DNA (35-MER) Strand I, DNA (35-MER) Strand II, SODIUM ION, ...
Authors:Horton, J.R, Yang, J, Cheng, X.
Deposit date:2023-05-08
Release date:2023-08-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Structures of CTCF-DNA complexes including all 11 zinc fingers.
Nucleic Acids Res., 51, 2023
8E3D
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BU of 8e3d by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#11)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*AP*AP*CP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*AP*T)-3'), ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2022-08-17
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
8E3E
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BU of 8e3e by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#10)
Descriptor: DNA (5'-D(*CP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*A)-3'), ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2022-08-17
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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
4E13
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BU of 4e13 by Molmil
Substrate-directed dual catalysis of dicarbonyl compounds by diketoreductase
Descriptor: Diketoreductase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Lu, M, White, M.A, Huang, Y, Wu, X, Liu, N, Cheng, X, Chen, Y.
Deposit date:2012-03-05
Release date:2012-11-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Dual catalysis mode for the dicarbonyl reduction catalyzed by diketoreductase
Chem.Commun.(Camb.), 48, 2012

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