4JLG
| SETD7 in complex with inhibitor (R)-PFI-2 and S-adenosyl-methionine | Descriptor: | 8-fluoro-N-{(2R)-1-oxo-1-(pyrrolidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl}-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, ... | Authors: | Dong, A, Wu, H, Zeng, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-03-12 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | (R)-PFI-2 is a potent and selective inhibitor of SETD7 methyltransferase activity in cells. Proc.Natl.Acad.Sci.USA, 111, 2014
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4J7F
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4J7I
| SET7/9Y335F in complex with TAF10 peptide and AdoHcy | Descriptor: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, Transcription initiation factor TFIID subunit 10 | Authors: | Horowitz, S, Trievel, R.C. | Deposit date: | 2013-02-13 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Conservation and functional importance of carbon-oxygen hydrogen bonding in AdoMet-dependent methyltransferases. J.Am.Chem.Soc., 135, 2013
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4J83
| SET7/9 in complex with TAF10K189A peptide and AdoMet | Descriptor: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYLMETHIONINE, Transcription initiation factor TFIID subunit 10 | Authors: | Horowitz, S, Nimtz, J.S, Trievel, R.C. | Deposit date: | 2013-02-14 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conservation and functional importance of carbon-oxygen hydrogen bonding in AdoMet-dependent methyltransferases. J.Am.Chem.Soc., 135, 2013
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4J8O
| SET7/9 in complex with TAF10K189A peptide and AdoHcy | Descriptor: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, Transcription initiation factor TFIID subunit 10 | Authors: | Horowitz, S, Trievel, R.C. | Deposit date: | 2013-02-14 | Release date: | 2014-01-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Conservation and functional importance of carbon-oxygen hydrogen bonding in AdoMet-dependent methyltransferases. J.Am.Chem.Soc., 135, 2013
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1O9S
| Crystal structure of a ternary complex of the human histone methyltransferase SET7/9 | Descriptor: | GENE FRAGMENT FOR HISTONE H3, HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-4 SPECIFIC, ... | Authors: | Xiao, B, Jing, C, Wilson, J.R, Walker, P.A, Vasisht, N, Kelly, G, Howell, S, Taylor, I.A, Blackburn, G.M, Gamblin, S.J. | Deposit date: | 2002-12-18 | Release date: | 2003-02-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and Catalytic Mechanism of the Human Histone Methyltransferase Set7/9 Nature, 421, 2003
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7LZB
| Crystal Structure of SETD2 bound to Compound 2 | Descriptor: | BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD2, N-[(1r,4r)-4-(beta-alanylamino)cyclohexyl]-7-methyl-1H-indole-2-carboxamide, ... | Authors: | Farrow, N.A, Boriack-Sjodin, P. | Deposit date: | 2021-03-09 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies. Acs Med.Chem.Lett., 12, 2021
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7LZD
| Crystal Structure of SETD2 bound to Compound 35 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase SETD2, ... | Authors: | Farrow, N.A, Boriack-Sjodin, P. | Deposit date: | 2021-03-09 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies. Acs Med.Chem.Lett., 12, 2021
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7LZF
| Crystal Structure of SETD2 bound to Compound 57 | Descriptor: | 1,2-ETHANEDIOL, 4-fluoro-N-[(1R,3S)-3-{(3S)-3-[(methanesulfonyl)(methyl)amino]pyrrolidin-1-yl}cyclohexyl]-7-methyl-1H-indole-2-carboxamide, Histone-lysine N-methyltransferase SETD2, ... | Authors: | Farrow, N.A, Boriack-Sjodin, P. | Deposit date: | 2021-03-09 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies. Acs Med.Chem.Lett., 12, 2021
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8XPT
| The Crystal Structure of EHMT1 from Biortus. | Descriptor: | Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C. | Deposit date: | 2024-01-04 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | The Crystal Structure of EHMT1 from Biortus. To Be Published
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7O2C
| X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035 | Descriptor: | (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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7O2A
| X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH benzodiazepine-type inhibitor compound 15 | Descriptor: | (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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7O2B
| X-RAY STRUCTURE OF SMYD3 in complex with benzodiazepine-type inhibitor 6 | Descriptor: | (2S)-N-butyl-1-(2-fluorophenyl)carbonyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | Authors: | Steuber, H. | Deposit date: | 2021-03-30 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of the SMYD3 Inhibitor BAY-6035 Using Thermal Shift Assay (TSA)-Based High-Throughput Screening. Slas Discov, 26, 2021
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1MT6
| Structure of histone H3 K4-specific methyltransferase SET7/9 with AdoHcy | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SET9 | Authors: | Jacobs, S.A, Harp, J.M, Devarakonda, S, Kim, Y, Rastinejad, F, Khorasanizadeh, S. | Deposit date: | 2002-09-20 | Release date: | 2002-11-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The active site of the SET domain is constructed on a knot Nat.Struct.Biol., 9, 2002
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8X8Q
| Structure of enterovirus protease in complex host factor | Descriptor: | 2A protein (Fragment), Actin-histidine N-methyltransferase, ZINC ION | Authors: | Gao, X, Cui, S. | Deposit date: | 2023-11-28 | Release date: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | The EV71 2A protease occupies the central cleft of SETD3 and disrupts SETD3-actin interaction. Nat Commun, 15, 2024
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8X77
| Enterovirus proteinase with host factor | Descriptor: | 2A protein, Actin-histidine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Gao, X, Cui, S. | Deposit date: | 2023-11-23 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.52 Å) | Cite: | The EV71 2A protease occupies the central cleft of SETD3 and disrupts SETD3-actin interaction. Nat Commun, 15, 2024
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1N6A
| Structure of SET7/9 | Descriptor: | S-ADENOSYLMETHIONINE, SET domain-containing protein 7 | Authors: | Kwon, T.W, Chang, J.H, Kwak, E, Lee, C.W, Joachimiak, A, Kim, Y.C, Lee, J, Cho, Y. | Deposit date: | 2002-11-09 | Release date: | 2003-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of histone lysine methyl transfer revealed by the structure of SET7/9-AdoMet EMBO J., 22, 2003
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1N6C
| Structure of SET7/9 | Descriptor: | S-ADENOSYLMETHIONINE, SET domain-containing protein 7 | Authors: | Kwon, T.W, Chang, J.H, Cho, Y. | Deposit date: | 2002-11-09 | Release date: | 2003-02-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mechanism of histone lysine methyl transfer revealed by the structure of SET7/9-AdoMet EMBO J., 22, 2003
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4JDS
| SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine | Descriptor: | Histone-lysine N-methyltransferase SETD7, N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, S-ADENOSYLMETHIONINE, ... | Authors: | Dong, A, Wu, H, Zeng, H, Park, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-02-25 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine to be published
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7DCF
| Crystal structure of EHMT2 SET domain in complex with compound 10 | Descriptor: | 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | Authors: | Suzuki, M, Katayama, K. | Deposit date: | 2020-10-26 | Release date: | 2021-02-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of DS79932728: A Potent, Orally Available G9a/GLP Inhibitor for Treating beta-Thalassemia and Sickle Cell Disease. Acs Med.Chem.Lett., 12, 2021
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5WCG
| SET and MYND Domain Containing protein 2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, N-lysine methyltransferase SMYD2, ... | Authors: | Dong, A, Zeng, H, Walker, J.R, Hutch, A, Seitova, A, Tatlock, J, Kumpf, R, Owen, A, Taylor, A, Casimiro-Garcia, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | The crystal structure of SMYD2 in complex with compound MTF003 to be published
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3SWC
| GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me2 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-13 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.332 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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3TG5
| Structure of SMYD2 in complex with p53 and SAH | Descriptor: | Cellular tumor antigen p53, GLYCEROL, N-lysine methyltransferase SMYD2, ... | Authors: | Zhao, K, Wang, L. | Deposit date: | 2011-08-17 | Release date: | 2011-08-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of human SMYD2 reveals the basis of p53 tumor suppressor methylation J.Biol.Chem., 2011
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3SMT
| Crystal structure of human SET domain-containing protein3 | Descriptor: | ACETATE ION, ARSENIC, Histone-lysine N-methyltransferase setd3, ... | Authors: | Dong, A, Zeng, H, Walker, J.R, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-20 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Crystal structure of human SET domain-containing protein3 To be Published
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3S7D
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