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6ODB
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Crystal structure of HDAC8 in complex with compound 3
分子名称: GLYCEROL, Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ...
著者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.
登録日2019-03-26
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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
6PHT
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BU of 6pht by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentylboronic acid
分子名称: Acetylpolyamine amidohydrolase, MAGNESIUM ION, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-25
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PHZ
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BU of 6phz by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptan-2-one
分子名称: 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, Acetylpolyamine Amidohydrolase, MAGNESIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-25
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PHR
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BU of 6phr by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentane-1-thiol
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[(3-aminopropyl)amino]pentane-1-thiol, Acetylpolyamine amidohydrolase, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-25
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PI1
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BU of 6pi1 by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 4-(dimethylamino)-N-[7-hydroxyamino)-7-oxoheptyl]benzamide
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Acetylpolyamine amidohydrolase, MAGNESIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-25
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PID
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BU of 6pid by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 8-amino-N-hydroxyoctanamide
分子名称: 8-amino-N-hydroxyoctanamide, Acetylpolyamine amidohydrolase, MAGNESIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-26
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.546 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PI8
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BU of 6pi8 by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with acetate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Acetylpolyamine amidohydrolase, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-26
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.635 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PIA
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BU of 6pia by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
分子名称: 1,2-ETHANEDIOL, 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, Acetylpolyamine amidohydrolase, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-26
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PIC
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BU of 6pic by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 6-amino-N-hydroxyhexanamide
分子名称: 6-amino-N-hydroxyhexanamide, Acetylpolyamine Amidohydrolase, MAGNESIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-06-26
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PYE
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BU of 6pye by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NR160
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-[(1-benzyl-1H-tetrazol-5-yl)methyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)benzamide, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-07-29
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.480003 Å)
主引用文献Multicomponent Synthesis, Binding Mode, and Structure-Activity Relationship of Selective Histone Deacetylase 6 (HDAC6) Inhibitors with Bifurcated Capping Groups.
J.Med.Chem., 63, 2020
6PZR
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BU of 6pzr by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with Resminostat
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, IODIDE ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZS
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BU of 6pzs by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JR005
分子名称: 4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide, CHLORIDE ION, Hdac6 protein, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZO
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BU of 6pzo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with YX-153
分子名称: Hdac6 protein, N-{[4-(hydroxycarbamoyl)phenyl]methyl}-2-(trifluoromethyl)pyridine-3-carboxamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6PZU
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BU of 6pzu by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with AP-1-62-A
分子名称: Hdac6 protein, N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-01
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6Q0Z
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BU of 6q0z by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with JS28
分子名称: 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide, Hdac6 protein, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-08-02
公開日2020-02-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
6UFO
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BU of 6ufo by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-[(3-aminopropyl)amino]-1-methoxyheptan-2-one
分子名称: 7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-09-24
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UFN
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BU of 6ufn by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-[(3-aminopropyl)amino]heptan-2-one
分子名称: 7-[(3-aminopropyl)amino]heptane-2,2-diol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-09-24
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UHU
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BU of 6uhu by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentylboronic acid
分子名称: 5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-09-28
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UHV
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BU of 6uhv by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
分子名称: 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-09-28
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UIJ
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BU of 6uij by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with S-{5-[(3-aminopropyl)amino]pentyl} thioacetate
分子名称: 5-[(3-aminopropyl)amino]pentane-1-thiol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-10-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UIL
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BU of 6uil by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptan-2-one
分子名称: 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-10-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UII
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BU of 6uii by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 5-[(3-aminopropyl)amino]pentane-1-thiol
分子名称: 5-[(3-aminopropyl)amino]pentane-1-thiol, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-10-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UIM
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BU of 6uim by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 7-{[(3-aminopropyl)amino]-2-oxoheptyl} thioacetate
分子名称: 7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2019-10-01
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Binding ofN8-Acetylspermidine Analogues to Histone Deacetylase 10 Reveals Molecular Strategies for Blocking Polyamine Deacetylation.
Biochemistry, 58, 2019
6UO5
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BU of 6uo5 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F mutant complexed with AR-42
分子名称: 1,2-ETHANEDIOL, AR-42, Histone deacetylase 6, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-10-14
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43934226 Å)
主引用文献Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
6UO4
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BU of 6uo4 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F mutant complexed with Trichostatin A
分子名称: Histone deacetylase 6, POTASSIUM ION, TRICHOSTATIN A, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-10-14
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.26830983 Å)
主引用文献Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019

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