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PDB: 39 件

7ZZS
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HDAC2 complexed with an inhibitory ligand
分子名称: (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one, 1,2-ETHANEDIOL, 2-(cyclohexylazaniumyl)ethanesulfonate, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-26
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
7ZZO
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HDAC2 in complex with an inhibitor
分子名称: 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-25
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
3MAX
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Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
著者Skene, R.J, Jennings, A.J.
登録日2010-03-24
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
7ZZR
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BU of 7zzr by Molmil
HDAC2 in complex with inhibitory ligand
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, ...
著者Cleasby, A, Tisi, D.
登録日2022-05-26
公開日2022-09-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.168 Å)
主引用文献Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
6WHO
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BU of 6who by Molmil
Histone deacetylases complex with peptide macrocycles
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
著者Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日2020-04-08
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6G3O
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Crystal structure of human HDAC2 in complex with (R)-6-[3,4-Dioxo-2-(4-trifluoromethoxy-phenylamino)-cyclobut-1-enylamino]-heptanoic acid hydroxyamide
分子名称: (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide, CALCIUM ION, Histone deacetylase 2, ...
著者Isabet, T, Aurelly, M, Chantalat, L, Thoreau, E.
登録日2018-03-26
公開日2018-06-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Squaramides as novel class I and IIB histone deacetylase inhibitors for topical treatment of cutaneous t-cell lymphoma.
Bioorg. Med. Chem. Lett., 28, 2018
6WHQ
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BU of 6whq by Molmil
Histone deacetylases complex with peptide macrocycles
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ...
著者Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日2020-04-08
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
6WI3
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BU of 6wi3 by Molmil
Histone deacetylases complex with peptide macrocycles
分子名称: (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ...
著者Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日2020-04-08
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
7KBH
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BU of 7kbh by Molmil
Structure of Human HDAC2 in complex with a 2-substituted benzamide inhibitor (compound 16)
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ...
著者Klein, D.J, Liu, J.
登録日2020-10-02
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.
Acs Med.Chem.Lett., 11, 2020
8BPC
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BU of 8bpc by Molmil
Cryo-EM structure of the human SIN3B histone deacetylase core complex with SAHA at 2.8 Angstrom
分子名称: CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ...
著者Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C.
登録日2022-11-16
公開日2023-05-10
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
8BPB
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Cryo-EM structure of the human SIN3B histone deacetylase core complex at 2.8 Angstrom
分子名称: ACETATE ION, CALCIUM ION, Histone deacetylase 2, ...
著者Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C.
登録日2022-11-16
公開日2023-05-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
6WHZ
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BU of 6whz by Molmil
Histone deacetylases complex with peptide macrocycles
分子名称: Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日2020-04-08
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
8C60
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BU of 8c60 by Molmil
Cryo-EM structure of the human SIN3B full-length complex at 3.4 Angstrom resolution
分子名称: CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ...
著者Alfieri, C, Wan, S.M, Muhammad, R.
登録日2023-01-10
公開日2023-05-10
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
8BPA
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BU of 8bpa by Molmil
Cryo-EM structure of the human SIN3B histone deacetylase complex at 3.7 Angstrom
分子名称: CALCIUM ION, Histone deacetylase 2, Isoform 2 of Paired amphipathic helix protein Sin3b, ...
著者Wan, M.S.M, Muhammad, R, Koliopolous, M.G, Alfieri, C.
登録日2022-11-16
公開日2023-05-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Mechanism of assembly, activation and lysine selection by the SIN3B histone deacetylase complex.
Nat Commun, 14, 2023
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