7RFL
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![BU of 7rfl by Molmil](/molmil-images/mine/7rfl) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC0946 | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ... | Authors: | Horton, J.R, Cheng, X, Zhou, J. | Deposit date: | 2021-07-14 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA. Epigenetics, 17, 2022
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7RFM
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![BU of 7rfm by Molmil](/molmil-images/mine/7rfm) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor EPZ004777 | Descriptor: | 1,2-ETHANEDIOL, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, DNA Strand 1, ... | Authors: | Horton, J.R, Cheng, X, Zhou, J. | Deposit date: | 2021-07-14 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA. Epigenetics, 17, 2022
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7RFN
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![BU of 7rfn by Molmil](/molmil-images/mine/7rfn) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor SGC8158 | Descriptor: | 1,2-ETHANEDIOL, 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, DNA Strand 1, ... | Authors: | Horton, J.R, Cheng, X, Zhou, J. | Deposit date: | 2021-07-14 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Repurposing epigenetic inhibitors to target the Clostridioides difficile- specific DNA adenine methyltransferase and sporulation regulator CamA. Epigenetics, 17, 2022
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9MHT
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![BU of 9mht by Molmil](/molmil-images/mine/9mht) | CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI/DNA COMPLEX | Descriptor: | 5'-D(P*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*(3DR)P*GP*CP*AP*TP*GP*G)-3', CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI, ... | Authors: | O'Gara, M, Horton, J.R, Roberts, R.J, Cheng, X. | Deposit date: | 1998-08-07 | Release date: | 1998-12-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structures of HhaI methyltransferase complexed with substrates containing mismatches at the target base. Nat.Struct.Biol., 5, 1998
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7SFF
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![BU of 7sff by Molmil](/molmil-images/mine/7sff) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3852279B | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide, 1,2-ETHANEDIOL, DNA (12-MER), ... | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | Deposit date: | 2021-10-03 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors. Structure, 30, 2022
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7SFD
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![BU of 7sfd by Molmil](/molmil-images/mine/7sfd) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3543105A | Descriptor: | (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ... | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | Deposit date: | 2021-10-03 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors. Structure, 30, 2022
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7SFC
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![BU of 7sfc by Molmil](/molmil-images/mine/7sfc) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3735967A | Descriptor: | 1,2-ETHANEDIOL, DNA (12-MER), DNA (cytosine-5)-methyltransferase 1, ... | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | Deposit date: | 2021-10-03 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors. Structure, 30, 2022
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7SFE
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![BU of 7sfe by Molmil](/molmil-images/mine/7sfe) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830334A | Descriptor: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ... | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | Deposit date: | 2021-10-03 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors. Structure, 30, 2022
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7SFG
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![BU of 7sfg by Molmil](/molmil-images/mine/7sfg) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Cofactor SAM | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 1, DNA Strand 1, ... | Authors: | Horton, J.R, Pathuri, S, Cheng, X. | Deposit date: | 2021-10-03 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors. Structure, 30, 2022
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1UP1
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![BU of 1up1 by Molmil](/molmil-images/mine/1up1) | UP1, THE TWO RNA-RECOGNITION MOTIF DOMAIN OF HNRNP A1 | Descriptor: | HETEROGENEOUS NUCLEAR RIBONUCLEOPROTEIN A1 | Authors: | Xu, R.-M, Jokhan, L, Cheng, X, Mayeda, A, Krainer, A.R. | Deposit date: | 1997-03-12 | Release date: | 1997-09-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of human UP1, the domain of hnRNP A1 that contains two RNA-recognition motifs. Structure, 5, 1997
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1M0E
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![BU of 1m0e by Molmil](/molmil-images/mine/1m0e) | ZEBULARINE: A NOVEL DNA METHYLATION INHIBITOR THAT FORMS A COVALENT COMPLEX WITH DNA METHYLTRANSFERASE | Descriptor: | 5'-D(P*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', 5'-D(P*GP*TP*CP*AP*GP*(Z)P*GP*CP*AP*TP*GP*G)-3', Modification methylase HhaI, ... | Authors: | Zhou, L, Cheng, X, Connolly, B.A, Dickman, M.J, Hurd, P.J, Hornby, D.P. | Deposit date: | 2002-06-12 | Release date: | 2002-09-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | ZEBULARINE: A NOVEL DNA METHYLATION INHIBITOR THAT FORMS A COVALENT COMPLEX WITH DNA METHYLTRANSFERASES J.MOL.BIOL., 321, 2002
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5ISL
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![BU of 5isl by Molmil](/molmil-images/mine/5isl) | |
5IVC
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![BU of 5ivc by Molmil](/molmil-images/mine/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
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5IWF
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![BU of 5iwf by Molmil](/molmil-images/mine/5iwf) | |
5IVB
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5IVF
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![BU of 5ivf by Molmil](/molmil-images/mine/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
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5IVV
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5IVJ
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![BU of 5ivj by Molmil](/molmil-images/mine/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
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5IVY
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3U78
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![BU of 3u78 by Molmil](/molmil-images/mine/3u78) | E67-2 selectively inhibits KIAA1718, a human histone H3 lysine 9 Jumonji demethylase | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, ... | Authors: | Upadhyay, A.K, Cheng, X. | Deposit date: | 2011-10-13 | Release date: | 2012-01-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.689 Å) | Cite: | An Analog of BIX-01294 Selectively Inhibits a Family of Histone H3 Lysine 9 Jumonji Demethylases. J.Mol.Biol., 416, 2012
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8CY5
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![BU of 8cy5 by Molmil](/molmil-images/mine/8cy5) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]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 (2.5 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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8CXX
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![BU of 8cxx by Molmil](/molmil-images/mine/8cxx) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 6 | 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 (2.34 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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8CY3
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![BU of 8cy3 by Molmil](/molmil-images/mine/8cy3) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 15 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-[3-(4-aminophenyl)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 (2.65 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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8CXS
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![BU of 8cxs by Molmil](/molmil-images/mine/8cxs) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor MTA | Descriptor: | 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DNA Strand 1, ... | 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 (2.49 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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8CXT
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![BU of 8cxt by Molmil](/molmil-images/mine/8cxt) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor N6-benzyladenosine (Compound 1) | 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 (2.61 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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