7XUC
 
 | | Structure of G9a in complex with compound 11a | | Descriptor: | 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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5XXJ
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6WZW
 | | Ash1L SET domain in complex with AS-85 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ... | | Authors: | Li, H, Deng, J, Cierpicki, T, Grembecka, J. | | Deposit date: | 2020-05-14 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
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6X0P
 | | Ash1L SET domain Q2265A mutant in complex with AS-5 | | Descriptor: | 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide, Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ... | | Authors: | Rogawski, D.S, Li, H, Borkin, D, Cierpicki, T, Grembecka, J. | | Deposit date: | 2020-05-17 | | Release date: | 2021-04-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
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6MBK
 | | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, First P212121 Crystal Form | | Descriptor: | 1,2-ETHANEDIOL, Actin peptide, GLYCEROL, ... | | Authors: | Horton, J.R, Dai, S, Cheng, X. | | Deposit date: | 2018-08-30 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
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3CBM
 | | SET7/9-ER-AdoMet complex | | Descriptor: | BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Cheng, X, Jia, D. | | Deposit date: | 2008-02-22 | | Release date: | 2008-05-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
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5YLT
 | | Crystal structure of SET7/9 in complex with a cyproheptadine derivative | | Descriptor: | 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H. | | Deposit date: | 2017-10-19 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine.
ChemMedChem, 13, 2018
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3OS5
 | | SET7/9-Dnmt1 K142me1 complex | | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, Dnmt1, ... | | Authors: | Esteve, P.-O, Chang, Y, Samaranayake, M, Upadhyay, A.K, Horton, J.R, Feehery, G.R, Cheng, X, Pradhan, S. | | Deposit date: | 2010-09-08 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A methylation and phosphorylation switch between an adjacent lysine and serine determines human DNMT1 stability.
Nat.Struct.Mol.Biol., 18, 2011
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3PDN
 | | Crystal structure of SmyD3 in complex with methyltransferase inhibitor sinefungin | | Descriptor: | GLYCEROL, MAGNESIUM ION, SET and MYND domain-containing protein 3, ... | | Authors: | Sirinupong, N, Brunzelle, J, Yang, Z. | | Deposit date: | 2010-10-23 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Insights into the Autoinhibition and Posttranslational Activation of Histone Methyltransferase SmyD3.
J.Mol.Biol., 406, 2011
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3M57
 | | SET7/9 Y245A in complex with TAF10 peptide and AdoHcy | | Descriptor: | GLYCEROL, Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | | Deposit date: | 2010-03-12 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation.
J.Biol.Chem., 285, 2010
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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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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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3M59
 | | SET7/9 Y245A in complex with TAF10-K189me2 peptide and AdoHcy | | Descriptor: | COBALT (II) ION, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | | Deposit date: | 2010-03-12 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation.
J.Biol.Chem., 285, 2010
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3K5K
 | | Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a | | Descriptor: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ... | | Authors: | Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-07 | | Release date: | 2009-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.
J.Med.Chem., 52, 2009
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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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5VSF
 | | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17 | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | | Deposit date: | 2017-05-11 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
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5W1Y
 | | SETD8 in complex with a covalent inhibitor | | Descriptor: | 2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Yu, W, Li, Y, Blum, G, Luo, M, Pittella-Silva, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-05 | | Release date: | 2017-06-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | SETD8 in complex with a covalent inhibitor
to be published
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5T0K
 | | Structure of G9a SET-domain with H3K9M mutant peptide and SAM | | Descriptor: | H3K9 mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | Authors: | Xu, K, Tong, L. | | Deposit date: | 2016-08-16 | | Release date: | 2016-10-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
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5TTF
 | | Crystal structure of catalytic domain of G9a with MS012 | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ... | | Authors: | DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-11-03 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
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5HQ8
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5JJ0
 | | Structure of G9a SET-domain with Histone H3K9M peptide and excess SAH | | Descriptor: | Histone H3K9M mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | Authors: | Jayaram, H, Bellon, S.F, Poy, F. | | Deposit date: | 2016-04-22 | | Release date: | 2016-07-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | S-adenosyl methionine is necessary for inhibition of the methyltransferase G9a by the lysine 9 to methionine mutation on histone H3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5V9J
 | | Crystal structure of catalytic domain of GLP with MS0105 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase EHMT1, ... | | Authors: | Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-03-23 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of catalytic domain of GLP with MS0105
to be published
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5V9I
 | | Crystal structure of catalytic domain of G9a with MS0105 | | Descriptor: | GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ... | | Authors: | Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-03-23 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Crystal structure of catalytic domain of G9a with MS0105
to be published
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3M5A
 | | SET7/9 Y245A in complex with TAF10-K189me3 peptide and AdoHcy | | Descriptor: | COBALT (II) ION, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Del Rizzo, P.A, Couture, J.-F, Roiko, M.S, Strunk, B.S, Brunzelle, J.S, Dirk, L.M, Houtz, R.L, Trievel, R.C. | | Deposit date: | 2010-03-12 | | Release date: | 2010-07-28 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | SET7/9 catalytic mutants reveal the role of active site water molecules in lysine multiple methylation.
J.Biol.Chem., 285, 2010
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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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