6DQ4 | | 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
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6DQ5 | |
6DQ6 | | 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
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6DQ7 | |
6DQ8 | | 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
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6DQ9 | | 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
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6DQA | | 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
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6DQB | | 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
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6DQC | |
6DQD | |
6DQE | |
6DQF | |
6BGU | | 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
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6BGV | | 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
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6BGW | | 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
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6BGX | | 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
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6BGY | | 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
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6BGZ | | 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
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6BH0 | | 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
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6BH1 | | 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
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6BH2 | |
6BH3 | |
6BH4 | | 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
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6BH5 | | 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
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1EYU | |
