Author results

6DQ4
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
Descriptor:Linked KDM5A Jmj Domain, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.392 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ5
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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, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine, MANGANESE (II) ION
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
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:Linked KDM5A Jmj Domain, N-{6-[4-(ethenylsulfonyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.587 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ7
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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:Linked KDM5A Jmj Domain, N-{6-[4-(hydroxyacetyl)-1,4-diazepan-1-yl]-2-(pyridin-2-yl)pyrimidin-4-yl}-beta-alanine, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
6DQ8
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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:Linked KDM5A Jmj Domain, 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:2019-05-01
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ9
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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:Linked KDM5A Jmj Domain, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQA
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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:Linked KDM5A Jmj Domain, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQB
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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:Linked KDM5A Jmj Domain, 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, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2018-11-21
Last modified:2019-05-01
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQC
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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:Linked KDM5A Jmj Domain, 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.755 Å)
Cite:To be determined
To Be Published
6DQD
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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:Linked KDM5A Jmj Domain, 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.987 Å)
Cite:To be determined
To Be Published
6DQE
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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:Linked KDM5A Jmj Domain, 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:To be determined
To Be Published
6DQF
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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:Linked KDM5A Jmj Domain, 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, MANGANESE (II) ION
Authors:Horton, J.R., Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:To be determined
To Be Published
6BGU
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-CHLOROPHENYL)(PROPOXY)METHYL)-1H-PYRROLO[3,2-B]PYRIDINE (COMPOUND N9)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-[(R)-(2-chlorophenyl)(propoxy)methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.684 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGV
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-CHLOROPHENYL)(2-(PIPERIDIN-1-YL)ETHOXY)METHYL)-1L2-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID (COMPOUND N40)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.592 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGW
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-CHLOROPHENYL)(2-(4,4-DIFLUOROPIPERIDIN-1-YL)ETHOXY)METHYL)-1H-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID(COMPOUND N41)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.644 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGX
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-CHLOROPHENYL)((4,4-DIFLUOROCYCLOHEXYL)METHOXY)METHYL)-1H-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID(COMPOUND N42)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.882 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BGY
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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:Lysine-specific demethylase 5A,linked KDM5A JMJ domain, 2-[(S)-(2-chlorophenyl){2-[(2R)-1-methylpyrrolidin-2-yl]ethoxy}methyl]-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
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
6BGZ
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-CHLOROPHENYL)(2-(1-METHYL-1H-IMIDAZOL-2-YL)ETHOXY)METHYL)-1H-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID (COMPOUND N47)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.688 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH0
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-2-((2-CHLOROPHENYL)(2-(PIPERIDIN-1-YL)ETHOXY)METHYL)-1L2-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID (COMPOUND N51)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.985 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH1
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-CHLOROPHENYL)(2-(PIPERIDIN-1-YL)ETHOXY)METHYL)-1L2-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID (COMPOUND N52)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.932 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH2
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (R)-N-(1-(3-ISOPROPYL-1H-PYRAZOLE-5-CARBONYL)PYRROLIDIN-3-YL)CYCLOPROPANECARBOXAMIDE (COMPOUND N54)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, MANGANESE (II) ION, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.447 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH3
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-N-(1-(3-ISOPROPYL-1H-PYRAZOLE-5-CARBONYL)PYRROLIDIN-3-YL)CYCLOPROPANECARBOXAMIDE (COMPOUND N55)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH4
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 5-(1-(TERT-BUTYL)-1H-PYRAZOL-4-YL)-6-ISOPROPYL-7-OXO-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE (COMPOUND N75/CPI-48)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
6BH5
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-CHLOROPHENYL)(3-(PIPERIDIN-1-YL)PROPOXY)METHYL)-1H-PYRROLO[3,2-B]PYRIDINE-7-CARBOXYLIC ACID (COMPOUND N48)
Descriptor:Lysine-specific demethylase 5A, linked KDM5A JMJ domain, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, ...
Authors:Horton, J.R., Cheng, X.
Deposit date:2017-10-29
Release date:2018-03-28
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
1EYU
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HIGH RESOLUTION STRUCTURE OF THE PVUII ENDONCULEASE/COGNATE DNA COMPLEX AT PH 4.6
Descriptor:DNA (5'-D(*TP*GP*AP*CP*CP*AP*GP*CP*TP*GP*GP*TP*C)-3'), TYPE II RESTRICTION ENZYME PVUII
Authors:Horton, J.R., Cheng, X.
Deposit date:2000-05-09
Release date:2000-07-21
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:PvuII endonuclease contains two calcium ions in active sites.
J.Mol.Biol., 300, 2000