5W5K
 
 | | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with KV70 | | Descriptor: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium, Histone deacetylase 6, POTASSIUM ION, ... | | Authors: | Porter, N.J, Christianson, D.W. | | Deposit date: | 2017-06-15 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 Inhibitors.
J.Med.Chem., 62, 2019
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6G16
 | | Structure of the human RBBP4:MTA1(464-546) complex showing loop exchange | | Descriptor: | Histone-binding protein RBBP4, Metastasis-associated protein MTA1 | | Authors: | Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2018-03-20 | | Release date: | 2018-06-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structure of the core NuRD repression complex provides insights into its interaction with chromatin.
Elife, 5, 2016
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6HSK
 | | Crystal structure of a human HDAC8 L6 loop mutant complexed with Quisinostat | | Descriptor: | 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide, Histone deacetylase 8, POTASSIUM ION, ... | | Authors: | Marek, M, Shaik, T.B, Ramos-Morales, E, Romier, C. | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants.
J. Med. Chem., 61, 2018
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1C3P
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1C3S
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8HLY
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8HLW
 | | Crystal structure of SIRT3 in complex with H4K16la peptide | | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, Histone H4 residues 20-27, NAD-dependent protein deacetylase sirtuin-3, ... | | Authors: | Zhuming, F, Hao, Q. | | Deposit date: | 2022-12-01 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Identification of SIRT3 as an eraser of H4K16la.
Iscience, 26, 2023
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1C3R
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5FXY
 | | Structure of the human RBBP4:MTA1(464-546) complex | | Descriptor: | HISTONE-BINDING PROTEIN RBBP4, METASTASIS-ASSOCIATED PROTEIN MTA1 | | Authors: | Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2016-03-03 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The structure of the core NuRD repression complex provides insights into its interaction with chromatin.
Elife, 5, 2016
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3ZVZ
 | | PHD finger of human UHRF1 | | Descriptor: | E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ZINC ION | | Authors: | Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P. | | Deposit date: | 2011-07-28 | | Release date: | 2011-11-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers.
Plos One, 6, 2011
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7SMC
 | | p107 pocket domain complexed with ARID4A peptide | | Descriptor: | AT-rich interactive domain-containing protein 4A, Retinoblastoma-like protein 1, SULFATE ION | | Authors: | Putta, S, Fernandez, S.M, Tripathi, S.M, Muller, G.A, Rubin, S.M. | | Deposit date: | 2021-10-25 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for tunable affinity and specificity of LxCxE-dependent protein interactions with the retinoblastoma protein family.
Structure, 30, 2022
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7SMD
 | | p107 pocket domain complexed with EID1 peptide | | Descriptor: | EP300-interacting inhibitor of differentiation 1, Retinoblastoma-like protein 1, SULFATE ION | | Authors: | Putta, S, Fernandez, S.M, Tripathi, S.M, Muller, G.A, Rubin, S.M. | | Deposit date: | 2021-10-25 | | Release date: | 2022-06-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural basis for tunable affinity and specificity of LxCxE-dependent protein interactions with the retinoblastoma protein family.
Structure, 30, 2022
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3ZVY
 | | PHD finger of human UHRF1 in complex with unmodified histone H3 N- terminal tail | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ... | | Authors: | Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P. | | Deposit date: | 2011-07-28 | | Release date: | 2011-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers.
Plos One, 6, 2011
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2N2H
 | | Solution structure of Sds3 in complex with Sin3A | | Descriptor: | Paired amphipathic helix protein Sin3a, Sin3 histone deacetylase corepressor complex component SDS3 | | Authors: | Clark, M, Radhakrishnan, I. | | Deposit date: | 2015-05-08 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex.
Proc.Natl.Acad.Sci.USA, 112, 2015
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2MYM
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2MYL
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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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6VNQ
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6YQN
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6YQO
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW12 | | Descriptor: | (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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6YQP
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22 | | Descriptor: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-17 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.
Int.J.Cancer, 147, 2020
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7AXR
 | | Crystal structure of BRD4(1) bound to the dual BET-HDAC inhibitor LSH24 | | Descriptor: | 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | | Authors: | Huegle, M. | | Deposit date: | 2020-11-10 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads.
J.Med.Chem., 64, 2021
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