7BUC
 
 | | Crystal structure of EHMT2 SET domain in complex with compound 13 | | Descriptor: | 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, ... | | Authors: | Suzuki, M, Mizuno, M, Katayama, K. | | Deposit date: | 2020-04-06 | | Release date: | 2020-11-11 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | 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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7CRO
 | | NSD2 bearing E1099K/T1150A dual mutation in complex with 187-bp NCP | | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | Deposit date: | 2020-08-14 | | Release date: | 2020-10-21 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7CRP
 | | NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (1:1 binding mode) | | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | Deposit date: | 2020-08-14 | | Release date: | 2020-10-21 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7CRQ
 | | NSD3 bearing E1181K/T1232A dual mutation in complex with 187-bp NCP (2:1 binding mode) | | Descriptor: | DNA (168-MER), Histone H2A, Histone H2B, ... | | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | Deposit date: | 2020-08-14 | | Release date: | 2020-10-21 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7CRR
 | | Native NSD3 bound to 187-bp nucleosome | | Descriptor: | DNA (168-MER), DNA(168-MER), Histone H2A, ... | | Authors: | Li, W, Tian, W, Yuan, G, Deng, P, Gozani, O, Patel, D, Wang, Z. | | Deposit date: | 2020-08-14 | | Release date: | 2020-10-21 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.48 Å) | | Cite: | Molecular basis of nucleosomal H3K36 methylation by NSD methyltransferases.
Nature, 590, 2021
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7D1Z
 | | Cryo-EM structure of SET8-nucleosome complex | | Descriptor: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Ho, C.-H, Takizawa, Y, Kobayashi, W, Arimura, Y, Kurumizaka, H. | | Deposit date: | 2020-09-15 | | Release date: | 2021-02-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Structural basis of nucleosomal histone H4 lysine 20 methylation by SET8 methyltransferase.
Life Sci Alliance, 4, 2021
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7D20
 | | Cryo-EM structure of SET8-CENP-A-nucleosome complex | | Descriptor: | DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Ho, C.-H, Takizawa, Y, Kobayashi, W, Arimura, Y, Kurumizaka, H. | | Deposit date: | 2020-09-15 | | Release date: | 2021-02-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of nucleosomal histone H4 lysine 20 methylation by SET8 methyltransferase.
Life Sci Alliance, 4, 2021
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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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7E8D
 | | NSD2 E1099K mutant bound to nucleosome | | Descriptor: | DNA (185-MER), Histone H2A type 1, Histone H2B type 1-J, ... | | Authors: | Sengoku, T, Sato, K, Nishizawa, T, Nureki, O, Ogata, K. | | Deposit date: | 2021-03-01 | | Release date: | 2021-11-10 | | Last modified: | 2022-02-02 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structural basis of the regulation of the normal and oncogenic methylation of nucleosomal histone H3 Lys36 by NSD2.
Nat Commun, 12, 2021
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7EA5
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7EA8
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7KSO
 | | Cryo-EM structure of PRC2:EZH1-AEBP2-JARID2 | | Descriptor: | Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ... | | Authors: | Grau, D.J, Armache, K.J. | | Deposit date: | 2020-11-23 | | Release date: | 2021-02-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
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7KSR
 | | PRC2:EZH1_A from a dimeric PRC2 bound to a nucleosome | | Descriptor: | Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ... | | Authors: | Grau, D.J, Armache, K.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-02-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
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7KTP
 | | PRC2:EZH1_B from a dimeric PRC2 bound to a nucleosome | | Descriptor: | Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, ... | | Authors: | Grau, D.J, Armache, K.J. | | Deposit date: | 2020-11-24 | | Release date: | 2021-02-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
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7LMS
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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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7MBM
 | | Cryo-EM structure of MLL1-NCP (H3K4M) complex, mode01 | | Descriptor: | DNA (145-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Dou, Y, Cho, U. | | Deposit date: | 2021-04-01 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-19 | | Method: | ELECTRON MICROSCOPY | | Cite: | Regulation of MLL1 Methyltransferase Activity in Two Distinct Nucleosome Binding Modes.
Biochemistry, 61, 2022
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7MBN
 | | Cryo-EM structure of MLL1-NCP (H3K4M) complex, mode02 | | Descriptor: | DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Dou, Y, Cho, U. | | Deposit date: | 2021-04-01 | | Release date: | 2021-12-29 | | Last modified: | 2022-01-19 | | Method: | ELECTRON MICROSCOPY | | Cite: | Regulation of MLL1 Methyltransferase Activity in Two Distinct Nucleosome Binding Modes.
Biochemistry, 61, 2022
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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: | 2021-09-22 | | 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: | 2021-09-22 | | 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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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: | 2021-09-22 | | 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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7QLB
 | | SMYD3 in complex with fragment FL06268 | | Descriptor: | 1-methylimidazole-4-sulfonamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | Deposit date: | 2021-12-20 | | Release date: | 2023-03-29 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
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7QNR
 | | SMYD3 in complex with fragment FL01791 | | Descriptor: | 3-propan-2-yl-1,2,4-thiadiazol-5-amine, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | Authors: | Lund, B.A, Cederfelt, D, Dobritzsch, D. | | Deposit date: | 2021-12-22 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening
Rsc Med Chem, 2024
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