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3C10
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BU of 3c10 by Molmil
Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with Trichostatin A (TSA)
Descriptor: Histone deacetylase 7a, POTASSIUM ION, TRICHOSTATIN A, ...
Authors: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)
Deposit date:2008-01-21
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
5VI6
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BU of 5vi6 by Molmil
Crystal structure of histone deacetylase 8 in complex with trapoxin A
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-04-14
Release date:2017-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.237 Å)
Cite:Binding of the Microbial Cyclic Tetrapeptide Trapoxin A to the Class I Histone Deacetylase HDAC8.
ACS Chem. Biol., 12, 2017
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
5LI3
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BU of 5li3 by Molmil
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
6R0K
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BU of 6r0k by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS208
Descriptor: 5-[2-[(3,4-dichlorophenyl)carbonylamino]ethyl]-~{N}-oxidanyl-1,2-oxazole-3-carboxamide, Histone deacetylase 6, POTASSIUM ION, ...
Authors:Barinka, C, Ustinova, K, Motlova, L, Pavlicek, J.
Deposit date:2019-03-13
Release date:2019-10-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models.
J.Med.Chem., 62, 2019
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
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
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
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
3C0Z
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BU of 3c0z by Molmil
Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with SAHA
Descriptor: Histone deacetylase 7a, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ...
Authors: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)
Deposit date:2008-01-21
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: Histone deacetylase 7a, POTASSIUM ION, ZINC ION
Authors: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)
Deposit date:2008-01-21
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
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
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
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
3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
Descriptor: HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
Authors:Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2013-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
3ZNR
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BU of 3znr by Molmil
HDAC7 bound with inhibitor TMP269
Descriptor: HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
Authors:Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2013-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
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
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:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of histone deacetylase 6 complexed with (R)-lipoic acid, an essential cofactor in central carbon metabolism.
J.Biol.Chem., 299, 2023
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
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
5DC5
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BU of 5dc5 by Molmil
Crystal structure of D176N HDAC8 in complex with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Decroos, C, Lee, M.S, Christianson, D.W.
Deposit date:2015-08-23
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
6CSR
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BU of 6csr by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with phenylhydroxamate
Descriptor: 1,2-ETHANEDIOL, BENZHYDROXAMIC ACID, Hdac6 protein, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2018-03-21
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.619 Å)
Cite:Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018
6CW8
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BU of 6cw8 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2018-03-30
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 2018

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