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6BGY
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BU of 6bgy by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound 46)
Descriptor: 1,2-ETHANEDIOL, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-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 (1.22 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
5ISL
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BU of 5isl by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor C49 (2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid)
Descriptor: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-15
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.694 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVB
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BU of 5ivb by Molmil
A High Resolution Structure of a Linked KDM5A Jmj Domain with Alpha-Ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, GLYCEROL, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.389 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVC
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BU of 5ivc by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N3 (4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid)
Descriptor: 1,2-ETHANEDIOL, 4'-[(2-phenylethyl)carbamoyl][2,2'-bipyridine]-4-carboxylic acid, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IWF
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BU of 5iwf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinamid
Descriptor: 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, Lysine-specific demethylase 5A,Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-22
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.289 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVF
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BU of 5ivf by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N10 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol
Descriptor: 8-(1-methyl-1H-imidazol-4-yl)-2-(4,4,4-trifluorobutoxy)pyrido[3,4-d]pyrimidin-4-ol, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.683 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVV
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BU of 5ivv by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N12 [3-((1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid]
Descriptor: 3-[(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.848 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVJ
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BU of 5ivj by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid]
Descriptor: 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.569 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVY
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BU of 5ivy by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N16 [3-(2-(4-chlorophenyl)acetamido)isonicotinic acid]
Descriptor: 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IVE
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BU of 5ive by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N8 ( 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile)
Descriptor: 5-methyl-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-20
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
5IW0
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BU of 5iw0 by Molmil
Linked KDM5A Jmj Domain Bound to the Inhibitor N19 [2-(5-((4-chloro-2-methylbenzyl)oxy)-1H-pyrazol-1-yl)isonicotinic acid]
Descriptor: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 2-{5-[(4-chloro-2-methylphenyl)methoxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
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
8S9O
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BU of 8s9o by Molmil
DNA cytosine-N4 methyltransferase (residues 61-324) from the Bdelloid rotifer Adineta vaga - P1 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 (1.94 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
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
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
8TLH
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BU of 8tlh by Molmil
CDCA7 (Mouse) Binds Non-B-form 32-mer DNA oligo
Descriptor: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2023-07-26
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLF
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BU of 8tlf by Molmil
CDCA7 (Mouse) Binds Non-B-form DNA oligo 36-mer (sg C2-Form 2)
Descriptor: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, GLYCEROL, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2023-07-26
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLK
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BU of 8tlk by Molmil
CDCA7 (Human) Binds Non-B-form 32-mer DNA oligo Containing a 5mC
Descriptor: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2023-07-26
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLL
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BU of 8tll by Molmil
CDCA7 (Mouse) Binds Non-B-form 26-mer DNA oligo
Descriptor: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (26-MER), ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2023-07-26
Release date:2024-08-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:The ICF syndrome protein CDCA7 harbors a unique DNA binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Sci Adv, 10, 2024
8TLJ
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BU of 8tlj by Molmil
CDCA7 (Mouse) Binds Non-B-form 32-mer DNA oligo Containing a 5mC
Descriptor: 1,2-ETHANEDIOL, Cell division cycle-associated protein 7, DNA (32-MER), ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2023-07-26
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023
8TLE
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BU of 8tle by Molmil
CDCA7 (Mouse) Binds Non-B-form 36-mer DNA oligo (sg C2-Form 1)
Descriptor: Cell division cycle-associated protein 7, MAGNESIUM ION, ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2023-07-26
Release date:2024-08-21
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:The ICF syndrome protein CDCA7 harbors a unique DNA-binding domain that recognizes a CpG dyad in the context of a non-B DNA.
Biorxiv, 2023

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