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5WGL
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BU of 5wgl by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ricolinostat (ACY-1215)
分子名称: 1,2-ETHANEDIOL, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide, CITRATE ANION, ...
著者Porter, N.J, Christianson, D.W.
登録日2017-07-14
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6VNR
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BU of 6vnr by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 6 Catalytic Domain 2 (CD2) Complexed with Bishydroxamic Acid Inhibitor
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-1-{[4-(hydroxycarbamoyl)phenyl]methyl}-1H-indole-6-carboxamide, ...
著者Osko, J.D, Porter, N.J, Christianson, D.W.
登録日2020-01-29
公開日2020-05-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94301319 Å)
主引用文献Design and Synthesis of Dihydroxamic Acids as HDAC6/8/10 Inhibitors.
Chemmedchem, 15, 2020
1ZZ1
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BU of 1zz1 by Molmil
Crystal structure of a HDAC-like protein with SAHA bound
分子名称: Histone deacetylase-like amidohydrolase, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ...
著者Nielsen, T.K, Hildmann, C, Dickmanns, A, Schwienhorst, A, Ficner, R.
登録日2005-06-13
公開日2005-11-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal structure of a bacterial class 2 histone deacetylase homologue
J.Mol.Biol., 354, 2005
2GH6
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Crystal structure of a HDAC-like protein with 9,9,9-trifluoro-8-oxo-N-phenylnonan amide bound
分子名称: 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE, Histone deacetylase-like amidohydrolase, POTASSIUM ION, ...
著者Nielsen, T.K, Hildmann, C, Riester, D, Wegener, D, Schwienhorst, A, Ficner, R.
登録日2006-03-26
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Complex structure of a bacterial class 2 histone deacetylase homologue with a trifluoromethylketone inhibitor.
Acta Crystallogr.,Sect.F, 63, 2007
5G0I
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BU of 5g0i by Molmil
Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ...
著者Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
登録日2016-03-18
公開日2016-07-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G1A
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BU of 5g1a by Molmil
Bordetella Alcaligenes HDAH bound to PFSAHA
分子名称: 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ...
著者Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
登録日2016-03-24
公開日2017-04-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
8EQI
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BU of 8eqi by Molmil
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
3SFH
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BU of 3sfh by Molmil
Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor
分子名称: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one, ACETATE ION, Histone deacetylase 8, ...
著者Stams, T, Vash, B.
登録日2011-06-13
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011
3MAX
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BU of 3max by Molmil
Crystal Structure of Human HDAC2 complexed with an N-(2-aminophenyl)benzamide
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
著者Skene, R.J, Jennings, A.J.
登録日2010-03-24
公開日2010-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
3MEN
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BU of 3men by Molmil
Crystal structure of acetylpolyamine aminohydrolase from Burkholderia pseudomallei, iodide soak
分子名称: Acetylpolyamine aminohydrolase, IODIDE ION, POTASSIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-03-31
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献SAD phasing using iodide ions in a high-throughput structural genomics environment.
J Struct Funct Genomics, 12, 2011
5JI5
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BU of 5ji5 by Molmil
Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum
分子名称: 1,2-ETHANEDIOL, BuphA.10154.a.B1, SODIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-04-21
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a Histone Deacetylase superfamily protein from Burkholderia phymatumphymatum
to be published
5LI3
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Crystal structure of HDAC-like protein from P. aeruginosa in complex with a photo-switchable inhibitor.
分子名称: (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, Acetoin utilization protein, POTASSIUM ION, ...
著者Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
登録日2016-07-14
公開日2016-11-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017
6J6T
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BU of 6j6t by Molmil
Crystal Structure of HDA15 HD domain
分子名称: Histone deacetylase 15, POTASSIUM ION, SULFATE ION, ...
著者Cheng, Y.S, Hsu, J.C, Hung, H.C, Liu, T.C.
登録日2019-01-15
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure of Arabidopsis HISTONE DEACETYLASE15.
Plant Physiol., 184, 2020
3SFF
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BU of 3sff by Molmil
Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor
分子名称: (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one, Histone deacetylase 8, POTASSIUM ION, ...
著者Stams, T, Vash, B.
登録日2011-06-13
公開日2011-07-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011
6MR5
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BU of 6mr5 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with a mercaptoacetamide-based inhibitor
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-10-11
公開日2018-12-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular Basis for the Selective Inhibition of Histone Deacetylase 6 by a Mercaptoacetamide Inhibitor.
ACS Med Chem Lett, 9, 2018
3C0Z
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BU of 3c0z by Molmil
Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with SAHA
分子名称: Histone deacetylase 7a, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ...
著者Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2008-01-21
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
3C0Y
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BU of 3c0y by Molmil
Crystal structure of catalytic domain of human histone deacetylase HDAC7
分子名称: Histone deacetylase 7a, POTASSIUM ION, ZINC ION
著者Min, J.R, Schuetz, A, Allali-Hassani, A, Loppnau, P, Kwiatkowski, N.P, Mazitschek, R, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2008-01-21
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
4LY1
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BU of 4ly1 by Molmil
Structure of Human HDAC2 in complex with inhibitor 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide, CALCIUM ION, ...
著者Fong, R, Lupardus, P.J.
登録日2013-07-30
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
1T67
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BU of 1t67 by Molmil
Crystal Structure of Human HDAC8 complexed with MS-344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ...
著者Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
登録日2004-05-05
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
4LXZ
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BU of 4lxz by Molmil
Structure of Human HDAC2 in complex with SAHA (vorinostat)
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
著者Fong, R, Lupardus, P.J.
登録日2013-07-30
公開日2013-08-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
7SGJ
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BU of 7sgj by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-711
分子名称: 1,2-ETHANEDIOL, 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide, DI(HYDROXYETHYL)ETHER, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGI
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BU of 7sgi by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Inhibitor 14
分子名称: 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGG
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BU of 7sgg by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with SAHA
分子名称: DI(HYDROXYETHYL)ETHER, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2021-10-05
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
1T69
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BU of 1t69 by Molmil
Crystal Structure of human HDAC8 complexed with SAHA
分子名称: Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC ION
著者Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W.
登録日2004-05-05
公開日2004-07-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
5ZOO
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BU of 5zoo by Molmil
Crystal structure of histone deacetylase 4 (HDAC4) in complex with a SMRT corepressor SP1 fragment
分子名称: Histone deacetylase 4, POTASSIUM ION, SMRT corepressor SP1 fragment, ...
著者Park, S.Y, Hwang, H.J, Kim, J.S.
登録日2018-04-13
公開日2018-11-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of the specific interaction of SMRT corepressor with histone deacetylase 4.
Nucleic Acids Res., 46, 2018

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