7UD5
| Complex between MLL1-WRAD and an H2B-ubiquitinated nucleosome | Descriptor: | 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C. | Deposit date: | 2022-03-18 | Release date: | 2022-09-21 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (4.25 Å) | Cite: | Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7X73
| Structure of G9a in complex with RK-701 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Shirouzu, M, Umehara, T. | Deposit date: | 2022-03-09 | Release date: | 2022-12-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression. Nat Commun, 14, 2023
|
|
7U5V
| Crystal structure of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine and Borealin peptide | Descriptor: | Borealin, Histone-lysine N-methyltransferase 2A, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | An, S, Cho, U.S, Oh, H, Sha, L, Xu, J, Kim, S, Yang, W, An, W, Dou, Y. | Deposit date: | 2022-03-02 | Release date: | 2023-09-27 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Non-canonical MLL1 activity regulates centromeric phase separation and genome stability. Nat.Cell Biol., 25, 2023
|
|
7TY3
| Crystal Structure of SETD2 Bound to an Indole-based Inhibitor | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETD2, N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, ... | Authors: | Farrow, N.A. | Deposit date: | 2022-02-11 | Release date: | 2022-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies. Acs Med.Chem.Lett., 13, 2022
|
|
7TY2
| Crystal Structure of SETD2 Bound to an Indole-based Inhibitor | Descriptor: | Histone-lysine N-methyltransferase SETD2, N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide, S-ADENOSYLMETHIONINE, ... | Authors: | Farrow, N.A. | Deposit date: | 2022-02-11 | Release date: | 2022-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.438 Å) | Cite: | Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies. Acs Med.Chem.Lett., 13, 2022
|
|
7TD5
| Structure of human PRC2-EZH1 containing phosphorylated SUZ12 | Descriptor: | Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ... | Authors: | Gong, L, Jiao, L, Liu, X. | Deposit date: | 2021-12-30 | Release date: | 2022-11-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.994 Å) | Cite: | CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site. Nat Commun, 13, 2022
|
|
7QNU
| SMYD3 in complex with fragment FL08619 | Descriptor: | BENZOYL-FORMIC ACID, 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 (1.64 Å) | Cite: | Identification of fragments targeting SMYD3 using highly sensitive kinetic and multiplexed biosensor-based screening Rsc Med Chem, 2024
|
|
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
|
|
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
|
|
7T7L
| Structure of human G9a SET-domain (EHMT2) in complex with covalent inhibitor (Compound 1) | Descriptor: | Histone-lysine N-methyltransferase EHMT2, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide, ... | Authors: | Park, K.-S, Kumar, P. | Deposit date: | 2021-12-15 | Release date: | 2022-07-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of the First-in-Class G9a/GLP Covalent Inhibitors. J.Med.Chem., 65, 2022
|
|
7T7M
| Structure of human GLP SET-domain (EHMT1) in complex with covalent inhibitor (Compound 1) | Descriptor: | Histone-lysine N-methyltransferase EHMT1, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide, ... | Authors: | Park, K.-S, Kumar, P. | Deposit date: | 2021-12-15 | Release date: | 2022-07-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of the First-in-Class G9a/GLP Covalent Inhibitors. J.Med.Chem., 65, 2022
|
|
7W6L
| The crystal structure of MLL3-RBBP5-ASH2L in complex with H3K4me0 peptide | Descriptor: | Histone H3.3C, Histone-lysine N-methyltransferase 2C, Retinoblastoma-binding protein 5, ... | Authors: | Zhao, L, Li, Y, Chen, Y. | Deposit date: | 2021-12-01 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Structural basis for product specificities of MLL family methyltransferases. Mol.Cell, 82, 2022
|
|
7W6A
| Crystal structure of the MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L complex | Descriptor: | Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Zhao, L, Li, Y, Chen, Y. | Deposit date: | 2021-12-01 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural basis for product specificities of MLL family methyltransferases. Mol.Cell, 82, 2022
|
|
7W6I
| The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me1 peptide | Descriptor: | Histone H3.3C, Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, ... | Authors: | Zhao, L, Li, Y, Chen, Y. | Deposit date: | 2021-12-01 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural basis for product specificities of MLL family methyltransferases. Mol.Cell, 82, 2022
|
|
7W6J
| The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me2 peptide | Descriptor: | Histone H3.3C, Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, ... | Authors: | Zhao, L, Li, Y, Chen, Y. | Deposit date: | 2021-12-01 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural basis for product specificities of MLL family methyltransferases. Mol.Cell, 82, 2022
|
|
7W67
| The crystal structure of MLL1 (N3861I/Q3867L/C3882SS)-RBBP5-ASH2L in complex with H3K4me0 peptide | Descriptor: | Histone H3.3C, Histone-lysine N-methyltransferase 2A, Retinoblastoma-binding protein 5, ... | Authors: | Zhao, L, Li, Y, Chen, Y. | Deposit date: | 2021-12-01 | Release date: | 2022-09-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Structural basis for product specificities of MLL family methyltransferases. Mol.Cell, 82, 2022
|
|
7W29
| |
7W28
| |
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: | 2024-05-29 | Method: | ELECTRON MICROSCOPY | Cite: | Regulation of MLL1 Methyltransferase Activity in Two Distinct Nucleosome Binding Modes. Biochemistry, 61, 2022
|
|
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: | 2024-05-29 | Method: | ELECTRON MICROSCOPY | Cite: | Regulation of MLL1 Methyltransferase Activity in Two Distinct Nucleosome Binding Modes. Biochemistry, 61, 2022
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|