8FYH
 
 | | G4 RNA-mediated PRC2 dimer | | Descriptor: | G4 RNA, Histone-binding protein RBBP4, Histone-lysine N-methyltransferase EZH2, ... | | Authors: | Song, J, Kasinath, V. | | Deposit date: | 2023-01-26 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for inactivation of PRC2 by G-quadruplex RNA.
Science, 381, 2023
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7QK4
 | | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QJG
 | | EED in complex with PRC2 allosteric inhibitor compound 6 | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | Deposit date: | 2021-12-16 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7QJU
 | | EED in complex with PRC2 allosteric inhibitor compound 7 | | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | | Deposit date: | 2021-12-17 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
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7SE7
 | | Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine | | Descriptor: | S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SEC
 | | Crystal structure of human Fibrillarin in complex with compound 1a | | Descriptor: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SE6
 | | Crystal structure of human Fibrillarin in ligand-free state | | Descriptor: | FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SEB
 | | Crystal structure of human Fibrillarin in complex with compound 2 from single soak | | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SE9
 | | Crystal structure of human Fibrillarin in complex with compound 1 from single soak | | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SED
 | | Crystal structure of human Fibrillarin in complex with compound 2a | | Descriptor: | FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SEA
 | | Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak | | Descriptor: | 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7SE8
 | | Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak | | Descriptor: | (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | Deposit date: | 2021-09-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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7P3J
 | | EED in complex with compound 4 | | Descriptor: | 8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one, MAGNESIUM ION, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | | Authors: | Read, J.A. | | Deposit date: | 2021-07-07 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase.
J.Med.Chem., 64, 2021
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7P3G
 | | EED in complex with compound 4 | | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine, Polycomb protein EED | | Authors: | Read, J.A. | | Deposit date: | 2021-07-07 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase.
J.Med.Chem., 64, 2021
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7P3C
 | | EED in complex with compound 4 | | Descriptor: | N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide, Polycomb protein EED | | Authors: | Read, J.A. | | Deposit date: | 2021-07-07 | | Release date: | 2021-12-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Diverse, Potent, and Efficacious Inhibitors That Target the EED Subunit of the Polycomb Repressive Complex 2 Methyltransferase.
J.Med.Chem., 64, 2021
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6LO2
 | | Crystal structure of EED in complex with EZH2 peptide and compound 11# | | Descriptor: | 8-[4-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Chen, Z. | | Deposit date: | 2020-01-02 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structure of EED in complex with EZH2 peptide and cmpd20
To Be Published
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7KXT
 | | Crystal structure of human EED | | Descriptor: | 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine, Polycomb protein EED, UNKNOWN ATOM OR ION | | Authors: | Zhu, L, Dong, A, Du, D, Liu, Y, Luo, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-04 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-Guided Development of Small-Molecule PRC2 Inhibitors Targeting EZH2-EED Interaction.
J.Med.Chem., 64, 2021
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6WKR
 | | PRC2-AEBP2-JARID2 bound to H2AK119ub1 nucleosome | | Descriptor: | DNA (314-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Kasinath, V, Nogales, E, Beck, C, Sauer, P, Poepsel, S, Kosmatka, J, Faini, M, Toso, D, Aebersold, R. | | Deposit date: | 2020-04-16 | | Release date: | 2021-02-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | JARID2 and AEBP2 regulate PRC2 in the presence of H2AK119ub1 and other histone modifications.
Science, 371, 2021
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7KTQ
 | | Nucleosome from a dimeric PRC2 bound to a nucleosome | | Descriptor: | 601 DNA (167-MER), Histone H2A, Histone H2B, ... | | 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 (3.3 Å) | | Cite: | Structures of monomeric and dimeric PRC2:EZH1 reveal flexible modules involved in chromatin compaction.
Nat Commun, 12, 2021
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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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7AT8
 | | Histone H3 recognition by nucleosome-bound PRC2 subunit EZH2. | | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3.2, ... | | Authors: | Finogenova, K, Benda, C, Schaefer, I.B, Poepsel, S, Strauss, M, Mueller, J. | | Deposit date: | 2020-10-29 | | Release date: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural basis for PRC2 decoding of active histone methylation marks H3K36me2/3.
Elife, 9, 2020
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6U4Y
 | | Crystal Structure of an EZH2-EED Complex in an Oligomeric State | | Descriptor: | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Jiao, L, Liu, X. | | Deposit date: | 2019-08-26 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A partially disordered region connects gene repression and activation functions of EZH2.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6W7F
 | | Structure of EED bound to inhibitor 5285 | | Descriptor: | 8-(6-cyclopropylpyridin-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine, GLYCEROL, Polycomb protein EED | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2020-03-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | EEDi-5285: An Exceptionally Potent, Efficacious, and Orally Active Small-Molecule Inhibitor of Embryonic Ectoderm Development.
J.Med.Chem., 63, 2020
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