PDB: 11971 resultsInfo pagesStatus searchChemie searchBIRD

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2RSN	Solution structure of the chromodomain of Chp1 in complex with H3K9me3 peptide Descriptor: Chromo domain-containing protein 1, peptide from Histone H3 Authors: Shimojo, H, Nishimura, Y. Deposit date: 2012-04-18 Release date: 2012-08-29 Last modified: 2025-03-26 Method: SOLUTION NMR Cite: Intrinsic nucleic Acid-binding activity of chp1 chromodomain is required for heterochromatic gene silencing Mol.Cell, 47, 2012
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: 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: 2024-10-23 Method: X-RAY DIFFRACTION (1.791 Å) Cite: Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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: 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	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	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
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: 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: 2024-11-06 Method: X-RAY DIFFRACTION (1.748 Å) Cite: Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
6DQ5	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, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine 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 (1.89 Å) Cite: Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
6DQE	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: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-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 (1.689 Å) Cite: To be determined To Be Published
6DQD	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: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-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 (1.987 Å) Cite: To be determined To Be Published
6DQ4	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
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: 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
6DQ7	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
6DQC	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
3SDY	Crystal Structure of Broadly Neutralizing Antibody CR8020 Bound to the Influenza A H3 Hemagglutinin Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody CR8020, Heavy Chain, ... Authors: Ekiert, D.C, Wilson, I.A. Deposit date: 2011-06-09 Release date: 2011-07-20 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (2.85 Å) Cite: A highly conserved neutralizing epitope on group 2 influenza A viruses. Science, 333, 2011
5ISL	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	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	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	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	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	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	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	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	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
5JLE	Crystal structure of SETD2 bound to SAH Descriptor: Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION Authors: Li, H, Yang, S, Zheng, X. Deposit date: 2016-04-27 Release date: 2016-11-02 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase Genes Dev., 30, 2016
5IW0	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

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