8TQ0
 
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8SZT
 | | Structure of Kdac1 from Acinetobacter baumannii | | 分子名称: | CHLORIDE ION, Histone deacetylase domain-containing protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Christianson, D.W. | | 登録日 | 2023-05-30 | | 公開日 | 2023-09-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure and Function of Kdac1, a Class II Deacetylase from the Multidrug-Resistant Pathogen Acinetobacter baumannii .
Biochemistry, 62, 2023
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8SZU
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8D9C
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 10 | | 分子名称: | 2,3,4,5,6-pentafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Christianson, D.W. | | 登録日 | 2022-06-09 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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8D99
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 7 | | 分子名称: | 2,3,6-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Christianson, D.W. | | 登録日 | 2022-06-09 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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8D9B
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 9 | | 分子名称: | 2,3,5,6-tetrafluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Christianson, D.W. | | 登録日 | 2022-06-09 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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8D9A
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 8 | | 分子名称: | 2,3,5-trifluoro-N-hydroxybenzamide, Hdac6 protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Christianson, D.W. | | 登録日 | 2022-06-09 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
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8D98
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8EQI
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8GD4
 | | Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with DMFO Inhibitor 6 | | 分子名称: | 2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide, Hdac6 protein, POTASSIUM ION, ... | | 著者 | Watson, P.R, Craigin, A.D, Christianson, D.W. | | 登録日 | 2023-03-03 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Difluoromethyl-1,3,4-oxadiazoles Are Selective, Mechanism-Based, and Essentially Irreversible Inhibitors of Histone Deacetylase 6 .
J.Med.Chem., 66, 2023
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7JOM
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7U8Z
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide, ACETATE ION, ... | | 著者 | Watson, P.R, Cragin, A.D, Christianson, D.W. | | 登録日 | 2022-03-09 | | 公開日 | 2022-11-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Development of Fluorinated Peptoid-Based Histone Deacetylase (HDAC) Inhibitors for Therapy-Resistant Acute Leukemia.
J.Med.Chem., 65, 2022
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6WSJ
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9CBK
 | | Crystal Structure of Danio rerio Histone Deacetylase 6 in Complex with p-Aminomethyl Phenylthioketone | | 分子名称: | 1,2-ETHANEDIOL, 1-[4-(aminomethyl)phenyl]-2-sulfanylethan-1-one, Hdac6 protein, ... | | 著者 | Goulart Stollmaier, J, Watson, P.R, Christianson, D.W. | | 登録日 | 2024-06-19 | | 公開日 | 2024-09-11 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To be Published
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7JVV
 | | Crystal structure of human histone deacetylase 8 (HDAC8) E66D/Y306F double mutation complexed with a tetrapeptide substrate | | 分子名称: | 1,2-ETHANEDIOL, ACE-ARG-HIS-ALY-ALY-MCM, GLYCEROL, ... | | 著者 | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | 登録日 | 2020-08-24 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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7JVU
 | | Crystal structure of human histone deacetylase 8 (HDAC8) I45T mutation complexed with SAHA | | 分子名称: | 1,2-ETHANEDIOL, Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ... | | 著者 | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | 登録日 | 2020-08-24 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.5004766 Å) | | 主引用文献 | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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7JVW
 | | Crystal structure of human histone deacetylase 8 (HDAC8) G320R mutation complexed with M344 | | 分子名称: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... | | 著者 | Osko, J.D, Christianson, D.W, Decroos, C, Porter, N.J, Lee, M. | | 登録日 | 2020-08-24 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.40301776 Å) | | 主引用文献 | Structural analysis of histone deacetylase 8 mutants associated with Cornelia de Lange Syndrome spectrum disorders.
J.Struct.Biol., 213, 2020
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6WHO
 | | 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
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6WHN
 | | Histone deacetylases complex with peptide macrocycles | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, 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 (1.54 Å) | | 主引用文献 | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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6WHQ
 | | 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
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6WHZ
 | | 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
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6WI3
 | | 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
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7UK2
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390 | | 分子名称: | Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ... | | 著者 | Erdogan, F, Seo, H.-S, Dhe-Paganon, S. | | 登録日 | 2022-03-31 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma.
Pharmaceuticals, 15, 2022
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9CBG
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9CBH
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