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4QA3
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BU of 4qa3 by Molmil
Crystal structure of T311M HDAC8 in complex with Trichostatin A (TSA)
Descriptor: GLYCEROL, Histone deacetylase 8, POTASSIUM ION, ...
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:2023-09-20
Method:X-RAY DIFFRACTION (2.876 Å)
Cite:Compromised Structure and Function of HDAC8 Mutants Identified in Cornelia de Lange Syndrome Spectrum Disorders.
Acs Chem.Biol., 9, 2014
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
5D1B
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BU of 5d1b by Molmil
Crystal structure of G117E HDAC8 in complex with TSA
Descriptor: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ...
Authors:Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W.
Deposit date:2015-08-04
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders.
Biochemistry, 54, 2015
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
7O2V
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BU of 7o2v by Molmil
AURORA KINASE A IN COMPLEX WITH THE AUR-A/PDK1 INHIBITOR VI8
Descriptor: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N}-[(1~{R})-2-[[(3~{E})-3-(1~{H}-imidazol-5-ylmethylidene)-2-oxidanylidene-1~{H}-indol-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-6-methyl-2-oxidanylidene-pyridine-3-carboxamide, Aurora kinase A
Authors:Garau, G.
Deposit date:2021-03-31
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.
Eur.J.Med.Chem., 226, 2021
3MZ3
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BU of 3mz3 by Molmil
Crystal structure of Co2+ HDAC8 complexed with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, COBALT (II) ION, Histone deacetylase 8, ...
Authors:Dowling, D.P, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2010-05-11
Release date:2010-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of metal-substituted human histone deacetylase 8 provide mechanistic inferences on biological function.
Biochemistry, 49, 2010
3F07
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BU of 3f07 by Molmil
Crystal Structure Analysis of Human HDAC8 complexed with APHA in a new monoclinic crystal form
Descriptor: (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl]prop-2-enamide, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Dowling, D.P, Gantt, S.L, Gattis, S.G, Fierke, C.A, Christianson, D.W.
Deposit date:2008-10-24
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural studies of human histone deacetylase 8 and its site-specific variants complexed with substrate and inhibitors.
Biochemistry, 47, 2008

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數據於2024-05-22公開中

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