5TUZ
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![BU of 5tuz by Molmil](/molmil-images/mine/5tuz) | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124 | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT1, ... | Authors: | Babault, N, Xiong, Y, Liu, J, Jin, J. | Deposit date: | 2016-11-07 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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5TTG
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![BU of 5ttg by Molmil](/molmil-images/mine/5ttg) | Crystal structure of catalytic domain of GLP with MS012 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | 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: | 2017-02-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 2017
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5TTF
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![BU of 5ttf by Molmil](/molmil-images/mine/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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5TQR
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![BU of 5tqr by Molmil](/molmil-images/mine/5tqr) | |
5BJS
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![BU of 5bjs by Molmil](/molmil-images/mine/5bjs) | Apo ctPRC2 in an autoinhibited state | Descriptor: | Histone-lysine N-methyltransferase EZH2, Polycomb protein SUZ12, Polycomb Protein EED, ... | Authors: | Bratkowski, M.A, Liu, X. | Deposit date: | 2016-10-22 | Release date: | 2017-06-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Polycomb repressive complex 2 in an autoinhibited state. J. Biol. Chem., 292, 2017
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5M5G
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![BU of 5m5g by Molmil](/molmil-images/mine/5m5g) | Crystal structure of the Chaetomium Thermophilum polycomb repressive complex 2 (PRC2) | Descriptor: | Fragment from molecular 2 (region containing putative polycomb protein Suz12), HISTONE H3 11-Mer peptide, Putative uncharacterized protein, ... | Authors: | Zhang, Y, Justin, N, Wilson, J, Gamblin, S. | Deposit date: | 2016-10-21 | Release date: | 2017-01-11 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2". Science, 354, 2016
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5TH7
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![BU of 5th7 by Molmil](/molmil-images/mine/5th7) | Complex of SETD8 with MS453 | Descriptor: | 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ... | Authors: | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-29 | Release date: | 2016-11-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase. J. Med. Chem., 59, 2016
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5TEG
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![BU of 5teg by Molmil](/molmil-images/mine/5teg) | |
5LT6
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![BU of 5lt6 by Molmil](/molmil-images/mine/5lt6) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-06 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5LT8
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5LT7
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![BU of 5lt7 by Molmil](/molmil-images/mine/5lt7) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-06 | Release date: | 2016-10-05 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5LSZ
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![BU of 5lsz by Molmil](/molmil-images/mine/5lsz) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-05 | Release date: | 2016-10-05 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5LSU
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![BU of 5lsu by Molmil](/molmil-images/mine/5lsu) | |
5LSY
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![BU of 5lsy by Molmil](/molmil-images/mine/5lsy) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-05 | Release date: | 2016-10-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5LSS
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5LSX
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![BU of 5lsx by Molmil](/molmil-images/mine/5lsx) | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | Descriptor: | Histone-lysine N-methyltransferase SETD2, ZINC ION, [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium | Authors: | Tisi, D, Pathuri, P, Heightman, T. | Deposit date: | 2016-09-05 | Release date: | 2016-10-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives. ACS Chem. Biol., 11, 2016
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5T5G
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![BU of 5t5g by Molmil](/molmil-images/mine/5t5g) | human SETD8 in complex with MS2177 | Descriptor: | 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | Authors: | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-08-30 | Release date: | 2016-09-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase. J. Med. Chem., 59, 2016
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5LS6
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![BU of 5ls6 by Molmil](/molmil-images/mine/5ls6) | Structure of Human Polycomb Repressive Complex 2 (PRC2) with inhibitor | Descriptor: | 1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide, Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2,Histone-lysine N-methyltransferase EZH2, Jarid2 K116me3, ... | Authors: | Zhang, Y, Justin, N, Chen, S, Wilson, J, Gamblin, S. | Deposit date: | 2016-08-22 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.47 Å) | Cite: | Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas. J. Med. Chem., 59, 2016
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5T0K
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![BU of 5t0k by Molmil](/molmil-images/mine/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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5T0M
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5KKL
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![BU of 5kkl by Molmil](/molmil-images/mine/5kkl) | Structure of ctPRC2 in complex with H3K27me3 and H3K27M | Descriptor: | ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA, Putative uncharacterized protein,Histone H3.1 peptide,Zinc finger domain-containing protein, S-ADENOSYLMETHIONINE, ... | Authors: | Jiao, L, Liu, X. | Deposit date: | 2016-06-21 | Release date: | 2017-04-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Response to Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2". Science, 354, 2016
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5KJI
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![BU of 5kji by Molmil](/molmil-images/mine/5kji) | Crystal structure of an active polycomb repressive complex 2 in the basal state | Descriptor: | Putative uncharacterized protein,Zinc finger domain-containing protein, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, ... | Authors: | Jiao, L, Liu, X. | Deposit date: | 2016-06-20 | Release date: | 2017-04-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Response to Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2". Science, 354, 2016
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5KJM
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![BU of 5kjm by Molmil](/molmil-images/mine/5kjm) | SMYD2 in complex with AZ931 | Descriptor: | 6-[2-[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ... | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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5KJK
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![BU of 5kjk by Molmil](/molmil-images/mine/5kjk) | SMYD2 in complex with AZ370 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ... | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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5KJL
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![BU of 5kjl by Molmil](/molmil-images/mine/5kjl) | SMYD2 in complex with AZ378 | Descriptor: | N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION | Authors: | Ferguson, A. | Deposit date: | 2016-06-20 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors. J. Med. Chem., 59, 2016
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