5V21
 
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3S7B
 | | Structural Basis of Substrate Methylation and Inhibition of SMYD2 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[2-(5-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, ... | | 著者 | Ferguson, A.D. | | 登録日 | 2011-05-26 | | 公開日 | 2011-08-10 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Structural Basis of Substrate Methylation and Inhibition of SMYD2.
Structure, 19, 2011
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6N3G
 | | Crystal structure of histone lysine methyltransferase SmyD2 in complex with polyethylene glycol | | 分子名称: | DODECAETHYLENE GLYCOL, ETHANOL, N-lysine methyltransferase SMYD2, ... | | 著者 | Perry, E, Spellmon, N, Brunzelle, J, Yang, Z. | | 登録日 | 2018-11-15 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Crystal structure of histone lysine methyltransferase SmyD2 in complex with polyethylene glycol
To be Published
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7TY2
 | | Crystal Structure of SETD2 Bound to an Indole-based Inhibitor | | 分子名称: | Histone-lysine N-methyltransferase SETD2, N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, ... | | 著者 | Farrow, N.A. | | 登録日 | 2022-02-11 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.438 Å) | | 主引用文献 | Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.
Acs Med.Chem.Lett., 13, 2022
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6Z2A
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7LZF
 | | Crystal Structure of SETD2 bound to Compound 57 | | 分子名称: | 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, ... | | 著者 | Farrow, N.A, Boriack-Sjodin, P. | | 登録日 | 2021-03-09 | | 公開日 | 2021-09-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | 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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4RZ0
 | | Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c | | 分子名称: | PFL0690c, UNKNOWN ATOM OR ION | | 著者 | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC) | | 登録日 | 2014-12-17 | | 公開日 | 2015-01-21 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.487 Å) | | 主引用文献 | Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c
To be Published
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3MO2
 | | human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67 | | 分子名称: | 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | 著者 | Chang, Y, Horton, J.R, Cheng, X. | | 登録日 | 2010-04-22 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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3VUZ
 | | Crystal structure of histone methyltransferase SET7/9 in complex with AAM-1 | | 分子名称: | 5'-{[(3S)-3-amino-3-carboxypropyl](hexyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase SETD7 | | 著者 | Niwa, H, Handa, N, Tomabechi, Y, Honda, K, Toyama, M, Ohsawa, N, Shirouzu, M, Kagechika, H, Hirano, T, Umehara, T, Yokoyama, S. | | 登録日 | 2012-07-10 | | 公開日 | 2013-03-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structures of histone methyltransferase SET7/9 in complexes with adenosylmethionine derivatives
Acta Crystallogr.,Sect.D, 69, 2013
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5WF7
 | | Chaetomium thermophilum Polycomb Repressive Complex 2 bound to GSK126 | | 分子名称: | 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ... | | 著者 | Bratkowski, M.A, Liu, X. | | 登録日 | 2017-07-11 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors.
Sci Rep, 8, 2018
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6CBY
 | | Crystal structure of human SET and MYND Domain Containing protein 2 with MTF9975 | | 分子名称: | N-lysine methyltransferase SMYD2, ZINC ION, [3-(4-amino-6-methyl-1H-imidazo[4,5-c]pyridin-1-yl)-3-methylazetidin-1-yl][1-({1-[(1R)-cyclohept-2-en-1-yl]piperidin-4-yl}methyl)-1H-pyrrol-3-yl]methanone | | 著者 | ZENG, H, DONG, A, Hutchinson, 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) | | 登録日 | 2018-02-05 | | 公開日 | 2018-03-14 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Selective, Small-Molecule Co-Factor Binding Site Inhibition of a Su(var)3-9, Enhancer of Zeste, Trithorax Domain Containing Lysine Methyltransferase.
J.Med.Chem., 62, 2019
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3RJW
 | | Crystal structure of histone lysine methyltransferase g9a with an inhibitor | | 分子名称: | 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | | 登録日 | 2011-04-15 | | 公開日 | 2011-05-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.
Nat.Chem.Biol., 7, 2011
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7W6I
 | | The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me1 peptide | | 分子名称: | Histone H3.3C, Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, ... | | 著者 | Zhao, L, Li, Y, Chen, Y. | | 登録日 | 2021-12-01 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Structural basis for product specificities of MLL family methyltransferases.
Mol.Cell, 82, 2022
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4J7I
 | | SET7/9Y335F in complex with TAF10 peptide and AdoHcy | | 分子名称: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, Transcription initiation factor TFIID subunit 10 | | 著者 | Horowitz, S, Trievel, R.C. | | 登録日 | 2013-02-13 | | 公開日 | 2014-01-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Conservation and functional importance of carbon-oxygen hydrogen bonding in AdoMet-dependent methyltransferases.
J.Am.Chem.Soc., 135, 2013
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5TQR
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1PEG
 | | Structural basis for the product specificity of histone lysine methyltransferases | | 分子名称: | Histone H3, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ... | | 著者 | Zhang, X, Yang, Z, Khan, S.I, Horton, J.R, Tamaru, H, Selker, E.U, Cheng, X. | | 登録日 | 2003-05-21 | | 公開日 | 2003-08-05 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Structural basis for the product specificity of histone lysine methyltransferases
Mol.Cell, 12, 2003
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7U5V
 | | Crystal structure of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine and Borealin peptide | | 分子名称: | Borealin, Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | An, S, Cho, U.S, Oh, H, Sha, L, Xu, J, Kim, S, Yang, W, An, W, Dou, Y. | | 登録日 | 2022-03-02 | | 公開日 | 2023-09-27 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Non-canonical MLL1 activity regulates centromeric phase separation and genome stability.
Nat.Cell Biol., 25, 2023
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6INE
 | | Crystal Structure of human ASH1L-MRG15 complex | | 分子名称: | GLYCEROL, Histone-lysine N-methyltransferase ASH1L, Mortality factor 4-like protein 1, ... | | 著者 | Hou, P, Huang, C, Liu, C.P, Yu, T, Yin, Y, Zhu, B, Xu, R.M. | | 登録日 | 2018-10-25 | | 公開日 | 2019-03-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural Insights into Stimulation of Ash1L's H3K36 Methyltransferase Activity through Mrg15 Binding.
Structure, 27, 2019
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8T9F
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4YPU
 | | ASH1L SET domain K2264L mutant in complex with S-adenosyl methionine (SAM) | | 分子名称: | Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION | | 著者 | Rogawski, D.S, Ndoj, J, Cho, H.J, Maillard, I, Grembecka, J, Cierpicki, T. | | 登録日 | 2015-03-13 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
Biochemistry, 54, 2015
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5TUY
 | | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124 | | 分子名称: | 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | | 著者 | Babault, N, Xiong, Y, Liu, J, Jin, J. | | 登録日 | 2016-11-07 | | 公開日 | 2017-02-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
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7BUC
 | | Crystal structure of EHMT2 SET domain in complex with compound 13 | | 分子名称: | Histone-lysine N-methyltransferase EHMT2, N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine, S-ADENOSYLMETHIONINE, ... | | 著者 | Suzuki, M, Mizuno, M, Katayama, K. | | 登録日 | 2020-04-06 | | 公開日 | 2020-11-11 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of novel histone lysine methyltransferase G9a/GLP (EHMT2/1) inhibitors: Design, synthesis, and structure-activity relationships of 2,4-diamino-6-methylpyrimidines.
Bioorg.Med.Chem.Lett., 30, 2020
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5IJ7
 | | Structure of Hs/AcPRC2 in complex with a pyridone inhibitor | | 分子名称: | 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ... | | 著者 | Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W. | | 登録日 | 2016-03-01 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Nat Commun, 7, 2016
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5WFD
 | | Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK126 | | 分子名称: | 1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-indole-4-carboxamide, Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera, ... | | 著者 | Bratkowski, M.A, Liu, X. | | 登録日 | 2017-07-11 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.654 Å) | | 主引用文献 | An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors.
Sci Rep, 8, 2018
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7W6J
 | | The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me2 peptide | | 分子名称: | Histone H3.3C, Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, ... | | 著者 | Zhao, L, Li, Y, Chen, Y. | | 登録日 | 2021-12-01 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structural basis for product specificities of MLL family methyltransferases.
Mol.Cell, 82, 2022
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