8CXU
 
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 2 | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | Authors: | Horton, J.R, Zhou, J, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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8CY2
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor APNEA (Compound 9) | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | Authors: | Horton, J.R, Zhou, J, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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8CY0
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MC4756 (Compound 178) | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-(4-phenylbutyl)adenosine, ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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8CXW
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor piclidenoson (Compound 4) | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | Authors: | Horton, J.R, Zhou, J, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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8CY4
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16 | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-[3-(4-hydroxyphenyl)propyl]adenosine, ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2022-05-22 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence.
J.Med.Chem., 66, 2023
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6BH3
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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: | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 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 (1.644 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: | 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
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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: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[(4,4-difluorocyclohexyl)methoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | 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 (1.882 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BH2
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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: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-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 (1.932 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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8F8Z
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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: | 1,2-ETHANEDIOL, 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, GLYCEROL, ... | | 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 (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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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: | 2-{(R)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, Lysine-specific demethylase 5A, ... | | 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 (1.985 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: | 2-{(S)-(2-chlorophenyl)[2-(1-methyl-1H-imidazol-2-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, Lysine-specific demethylase 5A, ... | | 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 (1.688 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BGU
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine (Compound N9) | | Descriptor: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl)(propoxy)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 (1.684 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: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-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 (1.592 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: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | 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 (1.651 Å) | | Cite: | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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8F8Y
 | | PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide | | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2022-11-22 | | Release date: | 2023-01-18 | | Last modified: | 2023-02-08 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2.
J.Biol.Chem., 299, 2022
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4F7Z
 | | Conformational dynamics of exchange protein directly activated by cAMP | | Descriptor: | GLYCEROL, Rap guanine nucleotide exchange factor 4 | | Authors: | White, M.A, Tsalkova, T.N, Mei, F.C, Liu, T, Woods, V.L, Cheng, X. | | Deposit date: | 2012-05-16 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analyses of a constitutively active mutant of exchange protein directly activated by cAMP.
Plos One, 7, 2012
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4M9V
 | | Zfp57 mutant (E182Q) in complex with 5-carboxylcytosine DNA | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Liu, Y, Olanrewaju, Y.O, Zhang, X, Cheng, X. | | Deposit date: | 2013-08-15 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.969 Å) | | Cite: | DNA recognition of 5-carboxylcytosine by a zfp57 mutant at an atomic resolution of 0.97 angstrom.
Biochemistry, 52, 2013
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3RDH
 | | X-ray induced covalent inhibition of 14-3-3 | | Descriptor: | 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION | | Authors: | Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X. | | Deposit date: | 2011-04-01 | | Release date: | 2011-09-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3SVM
 | | Human MPP8 - human DNMT3AK47me2 peptide | | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, M-phase phosphoprotein 8 | | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | | Deposit date: | 2011-07-12 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a.
Nat Commun, 2, 2011
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3RC0
 | | Human SETD6 in complex with RelA Lys310 peptide | | Descriptor: | 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ... | | Authors: | Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X. | | Deposit date: | 2011-03-30 | | Release date: | 2011-05-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
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3QXY
 | | Human SETD6 in complex with RelA Lys310 | | Descriptor: | 1,2-ETHANEDIOL, N-lysine methyltransferase SETD6, S-ADENOSYLMETHIONINE, ... | | Authors: | Chang, Y, Levy, D, Horton, J.R, Peng, J, Zhang, X, Gozani, O, Cheng, X. | | Deposit date: | 2011-03-02 | | Release date: | 2011-05-25 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural basis of SETD6-mediated regulation of the NF-kB network via methyl-lysine signaling.
Nucleic Acids Res., 39, 2011
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