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PDB: 32 件

6WSJ
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2020-05-01
公開日2021-04-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
7U8Z
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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
8EQI
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.2.0
分子名称: Cyclopeptide des4.2.0, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2022-10-07
公開日2023-04-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Macrocyclic Octapeptide Binding and Inferences on Protein Substrate Binding to Histone Deacetylase 6.
Acs Chem.Biol., 18, 2023
7JOM
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with TO-317
分子名称: 1,2-ETHANEDIOL, FORMIC ACID, Hdac6 protein, ...
著者Watson, P.R, Christianson, D.W.
登録日2020-08-06
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Unique Molecular Interaction with the Histone Deacetylase 6 Catalytic Tunnel: Crystallographic and Biological Characterization of a Model Chemotype.
J.Med.Chem., 64, 2021
8D9A
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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
8D99
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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
8D9C
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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
8D98
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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with fluorinated inhibitor 5
分子名称: 3,5-difluoro-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 (1.66 Å)
主引用文献Aromatic Ring Fluorination Patterns Modulate Inhibitory Potency of Fluorophenylhydroxamates Complexed with Histone Deacetylase 6.
Biochemistry, 61, 2022
8D9B
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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
8GD4
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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
4A69
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Structure of HDAC3 bound to corepressor and inositol tetraphosphate
分子名称: ACETATE ION, D-MYO INOSITOL 1,4,5,6 TETRAKISPHOSPHATE, GLYCEROL, ...
著者Watson, P.J, Fairall, L, Santos, G.M, Schwabe, J.W.R.
登録日2011-11-01
公開日2012-01-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structure of Hdac3 Bound to Co-Repressor and Inositol Tetraphosphate.
Nature, 481, 2012
8SZU
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Structure of Kdac1-Citarinostat complex from Acinetobacter baumannii
分子名称: Citarinostat, 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2023-11-08
実験手法X-RAY DIFFRACTION (1.75 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
8SZT
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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
8TQ0
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BU of 8tq0 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with (R)-Lipoic Acid
分子名称: DIHYDROLIPOIC ACID, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2023-08-06
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of histone deacetylase 6 complexed with (R)-lipoic acid, an essential cofactor in central carbon metabolism.
J.Biol.Chem., 299, 2023
1R4X
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BU of 1r4x by Molmil
Crystal Structure Analys of the Gamma-COPI Appendage domain
分子名称: Coatomer gamma subunit, MAGNESIUM ION
著者Watson, P.J, Frigerio, G, Collins, B.M, Duden, R, Owen, D.J.
登録日2003-10-09
公開日2003-10-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Gamma-COP appendage domain - structure and function
Traffic, 5, 2004
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
6WHN
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BU of 6whn by Molmil
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
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
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
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
4ZIO
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BU of 4zio by Molmil
Irradiated state of mCherry143azF
分子名称: SULFATE ION, mCherry
著者Reddington, S.C, Driezis, S, Hartley, A.M, Watson, P.D, Rizkallah, P.J, Jones, D.D.
登録日2015-04-28
公開日2015-09-16
最終更新日2018-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Genetically encoded phenyl azide photochemistry drives positive and negative functional modulation of a red fluorescent protein
Rsc Adv, 5, 2015
4ZIN
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BU of 4zin by Molmil
Genetically encoded Phenyl Azide Photochemistry Drive Positive and Negative Functional Modulation of a Red Fluorescent Protein
分子名称: 1,2-ETHANEDIOL, MCherry fluorescent protein, SULFATE ION
著者Reddington, S.C, Driezis, S, Hartley, A.M, Watson, P.D, Rizkallah, P.J, Jones, D.D.
登録日2015-04-28
公開日2015-09-16
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Genetically encoded phenyl azide photochemistry drives positive and negative functional modulation of a red fluorescent protein
Rsc Adv, 5, 2015
2WND
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BU of 2wnd by Molmil
Structure of an S100A7 triple mutant
分子名称: CALCIUM ION, PROTEIN S100-A7, ZINC ION
著者West, N.R, Farnell, B, Watson, P.H, Boulanger, M.J.
登録日2009-07-08
公開日2009-11-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Characterization of a Triple Mutant Form of S100A7 Defective for Jab1 Binding.
Protein Sci., 18, 2009
5ICN
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BU of 5icn by Molmil
HDAC1:MTA1 in complex with inositol-6-phosphate and a novel peptide inhibitor based on histone H4
分子名称: GLY-ALA-6A0-ARG-HIS, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ...
著者Millard, C.J, Robertson, N.S, Watson, P.J, Jameson, A.G, Schwabe, J.W.R.
登録日2016-02-23
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Insights into the activation mechanism of class I HDAC complexes by inositol phosphates.
Nat Commun, 7, 2016
3U66
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Crystal structure of T6SS SciP/TssL from Escherichia Coli Enteroaggregative 042
分子名称: GLYCEROL, Putative type VI secretion protein
著者Durand, E, Aschtgen, M.S, Zoued, A, Spinelli, S, Watson, P.J.H, Cambillau, C, Cascales, E.
登録日2011-10-12
公開日2012-03-07
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Structural characterization and oligomerization of the TssL protein, a component shared by bacterial type VI and type IVb secretion systems.
J.Biol.Chem., 287, 2012

 

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