3AQA
 
 | | Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 | | Descriptor: | 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2 | | Authors: | Umehara, T, Nakamura, Y, Terada, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2010-10-27 | | Release date: | 2011-05-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Real-Time Imaging of Histone H4K12-Specific Acetylation Determines the Modes of Action of Histone Deacetylase and Bromodomain Inhibitors
Chem.Biol., 18, 2011
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2DVQ
 | | Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide | | Descriptor: | Bromodomain-containing protein 2, histone H4 | | Authors: | Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-08-01 | | Release date: | 2007-08-07 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain.
J.Biol.Chem., 285, 2010
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2DVR
 | | Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide | | Descriptor: | bromodomain-containing protein 2, histone H4 | | Authors: | Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-08-01 | | Release date: | 2007-08-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain.
J.Biol.Chem., 285, 2010
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2DVS
 | | Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide | | Descriptor: | bromodomain-containing protein 2, histone H4 | | Authors: | Nakamura, Y, Umehara, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-08-01 | | Release date: | 2007-08-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Structural Basis for Acetylated Histone H4 Recognition by the Human BRD2 Bromodomain.
J.Biol.Chem., 285, 2010
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9KLB
 | | G9a in complex with RK-133232 (compound 16g) | | Descriptor: | Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | Deposit date: | 2024-11-14 | | Release date: | 2025-05-21 | | Last modified: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of potent substrate-type lysine methyltransferase G9a inhibitors for the treatment of sickle cell disease.
Eur.J.Med.Chem., 293, 2025
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9KLC
 | | G9a in complex with the S-isomer of RK-131902 (racemic compound rac-10a) | | Descriptor: | Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | Deposit date: | 2024-11-14 | | Release date: | 2025-05-21 | | Last modified: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of potent substrate-type lysine methyltransferase G9a inhibitors for the treatment of sickle cell disease.
Eur.J.Med.Chem., 293, 2025
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8Z7E
 | | Structure of G9a in complex with compound 9b | | Descriptor: | Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | Deposit date: | 2024-04-20 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.545 Å) | | Cite: | Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
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8Z7C
 | | Structure of G9a in complex with compound 7i | | Descriptor: | 3,6,6-trimethyl-~{N}-[(2~{S})-1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-1-oxidanylidene-hexan-2-yl]-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | Deposit date: | 2024-04-20 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
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8Z7D
 | | Structure of G9a in complex with compound 9a | | Descriptor: | 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-[(phenylmethyl)amino]hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T. | | Deposit date: | 2024-04-20 | | Release date: | 2025-01-22 | | Method: | X-RAY DIFFRACTION (1.581 Å) | | Cite: | Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
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7XUD
 | | Structure of G9a in complex with compound 26a | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.45 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUB
 | | Structure of G9a in complex with compound 10d | | 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, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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7XUA
 | | Structure of G9a in complex with compound 10a | | 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, Umehara, T. | | Deposit date: | 2022-05-18 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
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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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8IIY
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8IIZ
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8IJ0
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8INL
 | | LSD1 in complex with S2172 | | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Niwa, H, Sato, S, Umehara, T. | | Deposit date: | 2023-03-10 | | Release date: | 2024-03-13 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Novel pharmacologic inhibition of lysine-specific demethylase 1 as a potential therapeutic for glioblastoma.
Cancer Gene Ther, 31, 2024
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8HAL
 | | Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 1 | | Descriptor: | CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAG
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 1 (3.2 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAM
 | | Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 2 | | Descriptor: | CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAN
 | | Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 3 | | Descriptor: | CREB-binding protein, DNA (180-mer), Histone H2A type 1-B/E, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAH
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 2 (3.9 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAI
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 1 (4.7 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAJ
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 2 (4.8 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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8HAK
 | | Cryo-EM structure of the p300 catalytic core bound to the H4K12acK16ac nucleosome, class 4 (4.5 angstrom resolution) | | Descriptor: | DNA (180-mer), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Kikuchi, M, Morita, S, Wakamori, M, Shin, S, Uchikubo-Kamo, T, Shirouzu, M, Umehara, T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-05-17 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Epigenetic mechanisms to propagate histone acetylation by p300/CBP.
Nat Commun, 14, 2023
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