6UIM
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![BU of 6uim by Molmil](/molmil-images/mine/6uim) | |
6UO2
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![BU of 6uo2 by Molmil](/molmil-images/mine/6uo2) | |
6UO3
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![BU of 6uo3 by Molmil](/molmil-images/mine/6uo3) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) complexed with AR-42 | Descriptor: | 1,2-ETHANEDIOL, AR-42, HDAC6, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-10-14 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.09000123 Å) | Cite: | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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6UO4
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![BU of 6uo4 by Molmil](/molmil-images/mine/6uo4) | |
6UO5
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![BU of 6uo5 by Molmil](/molmil-images/mine/6uo5) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F mutant complexed with AR-42 | Descriptor: | 1,2-ETHANEDIOL, AR-42, Histone deacetylase 6, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-10-14 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43934226 Å) | Cite: | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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6UO7
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![BU of 6uo7 by Molmil](/molmil-images/mine/6uo7) | |
6UOB
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![BU of 6uob by Molmil](/molmil-images/mine/6uob) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Resminostat | Descriptor: | 1,2-ETHANEDIOL, Histone deacetylase 6, PHENYLALANINE, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-10-14 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58000576 Å) | Cite: | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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6UOC
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![BU of 6uoc by Molmil](/molmil-images/mine/6uoc) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with Givinostat | Descriptor: | 1,2-ETHANEDIOL, Givinostat, Histone deacetylase 6, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-10-14 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.400008 Å) | Cite: | Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6. Biochemistry, 58, 2019
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6V79
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![BU of 6v79 by Molmil](/molmil-images/mine/6v79) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2376 | Descriptor: | 1,2-ETHANEDIOL, 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide, Hdac6 protein, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-12-08 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03951526 Å) | Cite: | Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J.Med.Chem., 64, 2021
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6V7A
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![BU of 6v7a by Molmil](/molmil-images/mine/6v7a) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2657 | Descriptor: | Hdac6 protein, N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide, POTASSIUM ION, ... | Authors: | Osko, J.D, Christianson, D.W. | Deposit date: | 2019-12-08 | Release date: | 2020-12-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.0874176 Å) | Cite: | Spiroindoline-Capped Selective HDAC6 Inhibitors: Design, Synthesis, Structural Analysis, and Biological Evaluation. Acs Med.Chem.Lett., 11, 2020
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6VNQ
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![BU of 6vnq by Molmil](/molmil-images/mine/6vnq) | |
6VNR
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![BU of 6vnr by Molmil](/molmil-images/mine/6vnr) | Crystal Structure of Danio rerio Histone Deacetylase 6 Catalytic Domain 2 (CD2) Complexed with Bishydroxamic Acid Inhibitor | Descriptor: | 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide, ... | Authors: | Osko, J.D, Porter, N.J, Christianson, D.W. | Deposit date: | 2020-01-29 | Release date: | 2020-05-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94301319 Å) | Cite: | Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors. Chemmedchem, 15, 2020
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6WBQ
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![BU of 6wbq by Molmil](/molmil-images/mine/6wbq) | Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Tubastatin A | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-methyl-3,4-dihydro-1~{H}-pyrido[4,3-b]indol-5-yl)methyl]-~{N}-oxidanyl-benzamide, PHOSPHATE ION, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-03-27 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase. Acs Chem.Biol., 15, 2020
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6WBW
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![BU of 6wbw by Molmil](/molmil-images/mine/6wbw) | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2020-03-27 | Release date: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 30, 2020
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6WBZ
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![BU of 6wbz by Molmil](/molmil-images/mine/6wbz) | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group | Descriptor: | (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2020-03-28 | Release date: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 30, 2020
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6WDV
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![BU of 6wdv by Molmil](/molmil-images/mine/6wdv) | |
6WDW
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![BU of 6wdw by Molmil](/molmil-images/mine/6wdw) | |
6WDX
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![BU of 6wdx by Molmil](/molmil-images/mine/6wdx) | |
6WDY
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![BU of 6wdy by Molmil](/molmil-images/mine/6wdy) | Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indole Phenylhydroxamate Inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide, PHOSPHATE ION, ... | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | Deposit date: | 2020-04-01 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase. Acs Chem.Biol., 15, 2020
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6WHN
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![BU of 6whn by Molmil](/molmil-images/mine/6whn) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, 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 (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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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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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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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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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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6WSJ
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![BU of 6wsj by Molmil](/molmil-images/mine/6wsj) | |