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6VNR
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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
6VNQ
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Bishydroxamic Acid Based Inhibitor
Descriptor: 1,2-ETHANEDIOL, N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2020-01-29
Release date:2020-05-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors.
Chemmedchem, 15, 2020
6WBQ
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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
6WDX
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BU of 6wdx by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Hydroxyethylindole Phenylhydroxamate Inhibitor
Descriptor: N-hydroxy-4-{[3-(2-hydroxyethyl)-1H-indol-1-yl]methyl}benzamide, PHOSPHATE ION, POTASSIUM 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
6WBW
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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
6WDV
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Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Dimethylaminomethylindole Phenylhydroxamate Inhibitor
Descriptor: 4-({3-[(dimethylamino)methyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide, PHOSPHATE ION, POTASSIUM 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 (2.4 Å)
Cite:Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
6WYQ
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BU of 6wyq by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with 4-iodo-SAHA
Descriptor: Histone deacetylase 6, N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2020-05-13
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.90001464 Å)
Cite:Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
6WBZ
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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
6WYP
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BU of 6wyp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with SAHA-BPyne
Descriptor: Histone deacetylase 6, N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2020-05-13
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.40006351 Å)
Cite:Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
6WDY
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BU of 6wdy by Molmil
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
6WDW
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BU of 6wdw by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Dimethylaminoethylindole Phenylhydroxamate Inhibitor
Descriptor: 4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide, PHOSPHATE ION, POTASSIUM 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 (2.2 Å)
Cite:Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
6WYO
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BU of 6wyo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) H82F F202Y double mutant complexed with Trichostatin A
Descriptor: Histone deacetylase 6, POTASSIUM ION, TRICHOSTATIN A, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2020-05-13
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.30000281 Å)
Cite:Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
6WHO
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BU of 6who by Molmil
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
6WHN
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BU of 6whn by Molmil
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
6WHQ
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BU of 6whq by Molmil
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
6WHZ
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BU of 6whz by Molmil
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
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2020-05-01
Release date:2021-04-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
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
6XEB
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BU of 6xeb by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E)
Descriptor: 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Clausen, D.
Deposit date:2020-06-12
Release date:2020-08-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
8GA8
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BU of 8ga8 by Molmil
Structure of the yeast (HDAC) Rpd3L complex
Descriptor: Histone deacetylase RPD3, Transcriptional regulatory protein DEP1, Transcriptional regulatory protein PHO23, ...
Authors:Patel, A.B, Radhakrishnan, I, He, Y.
Deposit date:2023-02-22
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the Saccharomyces cerevisiae Rpd3L histone deacetylase complex.
Nat Commun, 14, 2023
8HPO
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BU of 8hpo by Molmil
Cryo-EM structure of a SIN3/HDAC complex from budding yeast
Descriptor: Histone deacetylase RPD3, PHOSPHOTHREONINE, POTASSIUM ION, ...
Authors:Guo, Z, Zhan, X, Wang, C.
Deposit date:2022-12-12
Release date:2023-05-03
Last modified:2023-07-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure of a SIN3-HDAC complex from budding yeast.
Nat.Struct.Mol.Biol., 30, 2023
6Z2J
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BU of 6z2j by Molmil
The structure of the dimeric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex
Descriptor: Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R.
Deposit date:2020-05-16
Release date:2020-07-08
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure.
Nat Commun, 11, 2020
6Z2K
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BU of 6z2k by Molmil
The structure of the tetrameric HDAC1/MIDEAS/DNTTIP1 MiDAC deacetylase complex
Descriptor: Deoxynucleotidyltransferase terminal-interacting protein 1, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Fairall, L, Saleh, A, Ragan, T.J, Millard, C.J, Savva, C.G, Schwabe, J.W.R.
Deposit date:2020-05-16
Release date:2020-07-08
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:The MiDAC histone deacetylase complex is essential for embryonic development and has a unique multivalent structure.
Nat Commun, 11, 2020
6Z6F
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BU of 6z6f by Molmil
HDAC-PC
Descriptor: HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ...
Authors:Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R.
Deposit date:2020-05-28
Release date:2021-02-17
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021
6Z6H
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BU of 6z6h by Molmil
HDAC-DC
Descriptor: HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ...
Authors:Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R.
Deposit date:2020-05-28
Release date:2021-02-17
Method:ELECTRON MICROSCOPY (8.55 Å)
Cite:Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021

218853

数据于2024-04-24公开中

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