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2GH6
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BU of 2gh6 by Molmil
Crystal structure of a HDAC-like protein with 9,9,9-trifluoro-8-oxo-N-phenylnonan amide bound
Descriptor: 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE, Histone deacetylase-like amidohydrolase, POTASSIUM ION, ...
Authors:Nielsen, T.K, Hildmann, C, Riester, D, Wegener, D, Schwienhorst, A, Ficner, R.
Deposit date:2006-03-26
Release date:2007-03-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Complex structure of a bacterial class 2 histone deacetylase homologue with a trifluoromethylketone inhibitor.
Acta Crystallogr.,Sect.F, 63, 2007
5LI3
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Crystal structure of HDAC-like protein from P. aeruginosa in complex with a photo-switchable inhibitor.
Descriptor: (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, Acetoin utilization protein, POTASSIUM ION, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-07-14
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017
1C3P
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BU of 1c3p by Molmil
CRYSTAL STRUCTURE OF AN HDAC HOMOLOG FROM AQUIFEX AEOLICUS
Descriptor: PROTEIN (HDLP (HISTONE DEACETYLASE-LIKE PROTEIN))
Authors:Finnin, M.S, Donigian, J.R, Pavletich, N.P.
Deposit date:1999-07-28
Release date:1999-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of a histone deacetylase homologue bound to the TSA and SAHA inhibitors.
Nature, 401, 1999
1C3S
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BU of 1c3s by Molmil
CRYSTAL STRUCTURE OF AN HDAC HOMOLOG COMPLEXED WITH SAHA
Descriptor: HDLP (HISTONE DEACETYLASE-LIKE PROTEIN), OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC ION
Authors:Finnin, M.S, Donigian, J.R, Pavletich, N.P.
Deposit date:1999-07-28
Release date:1999-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of a histone deacetylase homologue bound to the TSA and SAHA inhibitors.
Nature, 401, 1999
1C3R
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BU of 1c3r by Molmil
CRYSTAL STRUCTURE OF AN HDAC HOMOLOG COMPLEXED WITH TRICHOSTATIN A
Descriptor: HDLP (HISTONE DEACETYLASE-LIKE PROTEIN), TRICHOSTATIN A, ZINC ION
Authors:Finnin, M.S, Donigian, J.R, Pavletich, N.P.
Deposit date:1999-07-28
Release date:1999-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of a histone deacetylase homologue bound to the TSA and SAHA inhibitors.
Nature, 401, 1999
1ZZ0
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BU of 1zz0 by Molmil
Crystal structure of a HDAC-like protein with acetate bound
Descriptor: ACETATE ION, Histone deacetylase-like amidohydrolase, POTASSIUM ION, ...
Authors:Nielsen, T.K, Hildmann, C, Dickmanns, A, Schwienhorst, A, Ficner, R.
Deposit date:2005-06-13
Release date:2005-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a bacterial class 2 histone deacetylase homologue
J.Mol.Biol., 354, 2005
1ZZ3
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BU of 1zz3 by Molmil
Crystal structure of a HDAC-like protein with CypX bound
Descriptor: 3-CYCLOPENTYL-N-HYDROXYPROPANAMIDE, Histone deacetylase-like amidohydrolase, POTASSIUM ION, ...
Authors:Nielsen, T.K, Hildmann, C, Dickmanns, A, Schwienhorst, A, Ficner, R.
Deposit date:2005-06-13
Release date:2005-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of a bacterial class 2 histone deacetylase homologue
J.Mol.Biol., 354, 2005
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
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(acetylamino)-N-[2-amino-5-(thiophen-2-yl)phenyl]benzamide, CALCIUM ION, ...
Authors:Fong, R, Lupardus, P.J.
Deposit date:2013-07-30
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
1ZZ1
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BU of 1zz1 by Molmil
Crystal structure of a HDAC-like protein with SAHA bound
Descriptor: Histone deacetylase-like amidohydrolase, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ...
Authors:Nielsen, T.K, Hildmann, C, Dickmanns, A, Schwienhorst, A, Ficner, R.
Deposit date:2005-06-13
Release date:2005-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of a bacterial class 2 histone deacetylase homologue
J.Mol.Biol., 354, 2005
4LXZ
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BU of 4lxz by Molmil
Structure of Human HDAC2 in complex with SAHA (vorinostat)
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CALCIUM ION, Histone deacetylase 2, ...
Authors:Fong, R, Lupardus, P.J.
Deposit date:2013-07-30
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Histone Deacetylase (HDAC) Inhibitor Kinetic Rate Constants Correlate with Cellular Histone Acetylation but Not Transcription and Cell Viability.
J.Biol.Chem., 288, 2013
4QA5
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BU of 4qa5 by Molmil
Crystal structure of A188T/Y306F HDAC8 in complex with a tetrapeptide substrate
Descriptor: 7-AMINO-4-METHYL-CHROMEN-2-ONE, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Bowman, C.B, Moser, J.-A.S, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2014-05-02
Release date:2014-08-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
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
Descriptor: DIHYDROLIPOIC ACID, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2023-08-06
Release date:2023-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of Danio reroof histone deacetylase 6 catalytic domain 2 complexed with (R)-Lipoic Acid
To be published
8SZT
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BU of 8szt by Molmil
Structure of Kdac1 from Acinetobacter baumannii
Descriptor: CHLORIDE ION, Histone deacetylase domain-containing protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2023-05-30
Release date:2023-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Function of Kdac1, a Class II Deacetylase from the Multidrug-Resistant Pathogen Acinetobacter baumannii .
Biochemistry, 62, 2023
8SZU
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BU of 8szu by Molmil
Structure of Kdac1-Citarinostat complex from Acinetobacter baumannii
Descriptor: Citarinostat, Histone deacetylase domain-containing protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2023-05-30
Release date:2023-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Function of Kdac1, a Class II Deacetylase from the Multidrug-Resistant Pathogen Acinetobacter baumannii .
Biochemistry, 62, 2023
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
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2018-10-11
Release date:2018-12-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Basis for the Selective Inhibition of Histone Deacetylase 6 by a Mercaptoacetamide Inhibitor.
ACS Med Chem Lett, 9, 2018
6ODB
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BU of 6odb by Molmil
Crystal structure of HDAC8 in complex with compound 3
Descriptor: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODA
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BU of 6oda by Molmil
Crystal structure of HDAC8 in complex with compound 2
Descriptor: Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, POTASSIUM ION, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODC
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BU of 6odc by Molmil
Crystal structure of HDAC8 in complex with compound 30
Descriptor: (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide, 1,2-ETHANEDIOL, Histone deacetylase 8, ...
Authors:Zheng, X, Conti, C, Caravella, J, Zablocki, M.-M, Bair, K, Barczak, N, Han, B, Lancia Jr, D, Liu, C, Martin, M, Ng, P.Y, Rudnitskaya, A, Thomason, J.J, Garcia-Dancey, R, Hardy, C, Lahdenranta, J, Leng, C, Li, P, Pardo, E, Saldahna, A, Tan, T, Toms, A.V, Yao, L, Zhang, C.
Deposit date:2019-03-26
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
3RQD
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BU of 3rqd by Molmil
Ideal Thiolate-Zinc Coordination Geometry in Depsipeptide Binding to Histone Deacetylase 8
Descriptor: Histone deacetylase 8, Largazole, POTASSIUM ION, ...
Authors:Cole, K.E, Dowling, D.P, Christianson, D.W.
Deposit date:2011-04-28
Release date:2011-08-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.143 Å)
Cite:Structural basis of the antiproliferative activity of largazole, a depsipeptide inhibitor of the histone deacetylases.
J.Am.Chem.Soc., 133, 2011
1T69
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BU of 1t69 by Molmil
Crystal Structure of human HDAC8 complexed with SAHA
Descriptor: Histone deacetylase 8, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, ZINC ION
Authors: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.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1T67
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BU of 1t67 by Molmil
Crystal Structure of Human HDAC8 complexed with MS-344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ...
Authors: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.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
1T64
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BU of 1t64 by Molmil
Crystal Structure of human HDAC8 complexed with Trichostatin A
Descriptor: CALCIUM ION, Histone deacetylase 8, SODIUM ION, ...
Authors: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.
Deposit date:2004-05-05
Release date:2004-07-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
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
Descriptor: Cyclopeptide des4.2.0, Hdac6 protein, POTASSIUM ION, ...
Authors:Watson, P.R, Christianson, D.W.
Deposit date:2022-10-07
Release date:2023-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: (2R)-2-amino-3-(2,4-dichlorophenyl)-1-(1,3-dihydro-2H-isoindol-2-yl)propan-1-one, ACETATE ION, Histone deacetylase 8, ...
Authors:Stams, T, Vash, B.
Deposit date:2011-06-13
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011
3SFF
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BU of 3sff by Molmil
Crystal Structure of Human HDAC8 Inhibitor Complex, an Amino Acid Derived Inhibitor
Descriptor: (2R)-2-amino-3-(3-chlorophenyl)-1-[4-(2,5-difluorobenzoyl)piperazin-1-yl]propan-1-one, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Stams, T, Vash, B.
Deposit date:2011-06-13
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.
Bioorg.Med.Chem., 19, 2011

217705

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