7ZZS
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![BU of 7zzs by Molmil](/molmil-images/mine/7zzs) | HDAC2 complexed with an inhibitory ligand | Descriptor: | (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7ZZO
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![BU of 7zzo by Molmil](/molmil-images/mine/7zzo) | HDAC2 in complex with an inhibitor | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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3MAX
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![BU of 3max by Molmil](/molmil-images/mine/3max) | |
7ZZR
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![BU of 7zzr by Molmil](/molmil-images/mine/7zzr) | HDAC2 in complex with inhibitory ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Tisi, D. | Deposit date: | 2022-05-26 | Release date: | 2022-09-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor. Acs Med.Chem.Lett., 13, 2022
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6WHO
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![BU of 6who by Molmil](/molmil-images/mine/6who) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6G3O
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![BU of 6g3o by Molmil](/molmil-images/mine/6g3o) | Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide | Descriptor: | (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ... | Authors: | Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E. | Deposit date: | 2018-03-26 | Release date: | 2018-06-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma. Bioorg. Med. Chem. Lett., 28, 2018
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6WHQ
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![BU of 6whq by Molmil](/molmil-images/mine/6whq) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WI3
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![BU of 6wi3 by Molmil](/molmil-images/mine/6wi3) | Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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7KBH
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![BU of 7kbh by Molmil](/molmil-images/mine/7kbh) | |
8BPB
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![BU of 8bpb by Molmil](/molmil-images/mine/8bpb) | Cryo-EM structure of the human SIN3B histone deacetylase core complex at 2.8 Angstrom | Descriptor: | ACETATE ION, CALCIUM ION, Histone deacetylase 2, ... | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | Deposit date: | 2022-11-16 | Release date: | 2023-05-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex. Nat Commun, 14, 2023
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8BPC
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![BU of 8bpc by Molmil](/molmil-images/mine/8bpc) | Cryo-EM structure of the human SIN3B histone deacetylase core complex with SAHA at 2.8 Angstrom | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | Deposit date: | 2022-11-16 | Release date: | 2023-05-10 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex. Nat Commun, 14, 2023
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6WHZ
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![BU of 6whz by Molmil](/molmil-images/mine/6whz) | Histone deacetylases complex with peptide macrocycles | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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8C60
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![BU of 8c60 by Molmil](/molmil-images/mine/8c60) | Cryo-EM structure of the human SIN3B full-length complex at 3.4 Angstrom resolution | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | Authors: | Alfieri, C, Wan, S.M, Muhammad, R. | Deposit date: | 2023-01-10 | Release date: | 2023-05-10 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex. Nat Commun, 14, 2023
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8BPA
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![BU of 8bpa by Molmil](/molmil-images/mine/8bpa) | Cryo-EM structure of the human SIN3B histone deacetylase complex at 3.7 Angstrom | Descriptor: | CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ... | Authors: | Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C. | Deposit date: | 2022-11-16 | Release date: | 2023-05-10 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex. Nat Commun, 14, 2023
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