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PDB: 341 件

5WGL
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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
5FUE
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Crystal structure of Schistosoma mansoni HDAC8 complexed with 3- benzamido-benzohydroxamate
分子名称: 3-(benzoylamino)-N-oxobenzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
著者Marek, M, Romier, C.
登録日2016-01-26
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Structure-Based Design and Synthesis of Novel Inhibitors Targeting Hdac8 from Schistosoma Mansoni for the Treatment of Schistosomiasis.
J.Med.Chem., 59, 2016
1W22
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Crystal structure of inhibited human HDAC8
分子名称: HISTONE DEACETYLASE 8, N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE, POTASSIUM ION, ...
著者Vannini, A, Volpari, C, Caroli Casavola, E, Di Marco, S.
登録日2004-06-25
公開日2004-09-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of a Eukaryotic Zn-Dependent Histone Deacetylase,Human Hdac8,Complexed with a Hydroxamic Acid Inhibitor
Proc.Natl.Acad.Sci.USA, 101, 2004
5TD7
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Crystal structure of histone deacetylase 10
分子名称: 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, PENTAETHYLENE GLYCOL, PHOSPHATE ION, ...
著者Hai, Y, Shinsky, S.A, Porter, N.J, Christianson, D.W.
登録日2016-09-17
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Histone deacetylase 10 structure and molecular function as a polyamine deacetylase.
Nat Commun, 8, 2017
3C0Z
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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
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
3C0Y
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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
5JI5
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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
7O2R
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3985
分子名称: 3,5-bis(fluoranyl)-~{N}-oxidanyl-4-[(5-pyrimidin-2-yl-1,2,3,4-tetrazol-2-yl)methyl]benzamide, DI(HYDROXYETHYL)ETHER, Histone deacetylase 6, ...
著者Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A.
登録日2021-03-31
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7O2P
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3756
分子名称: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Zrubek, K, Sandrone, G, Cukier, C.D, Stevenazzi, A.
登録日2021-03-31
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of Fluorination in the Histone Deacetylase 6 (HDAC6) Selectivity of Benzohydroxamate-Based Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7POZ
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Crystal structure of Schistosoma mansoni HDAC8 with DMSO bound in the active site
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Histone deacetylase 8, ...
著者Saccoccia, F, Ruberti, G.
登録日2021-09-10
公開日2022-08-31
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
4RN1
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Crystal structure of S39D HDAC8 in complex with a largazole analogue.
分子名称: (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Christianson, D.W.
登録日2014-10-22
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
3C10
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Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with Trichostatin A (TSA)
分子名称: Histone deacetylase 7a, POTASSIUM ION, TRICHOSTATIN A, ...
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 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
4RN0
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Crystal structure of S39D HDAC8 in complex with a largazole analogue.
分子名称: (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Christianson, D.W.
登録日2014-10-22
公開日2015-04-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8.
Biochemistry, 54, 2015
6DVL
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-115
分子名称: Hdac6 protein, N-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide, POTASSIUM ION, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-06-24
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
6DVN
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Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide, ...
著者Osko, J.D, Christianson, D.W.
登録日2018-06-24
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
7QNO
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Crystal structure of ligand-free Danio rerio HDAC6 CD1 CD2
分子名称: GLYCEROL, Histone deacetylase 6, POTASSIUM ION, ...
著者Kempf, G, Langousis, G, Sanchez, J, Matthias, P.
登録日2021-12-21
公開日2022-02-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Expression and Crystallization of HDAC6 Tandem Catalytic Domains.
Methods Mol.Biol., 2589, 2023
6MR5
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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
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
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
4LXZ
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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
4LY1
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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
3ZNR
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HDAC7 bound with inhibitor TMP269
分子名称: 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, ...
著者Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
登録日2013-02-15
公開日2013-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
5ZOO
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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
5ZOP
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Crystal structure of histone deacetylase 4 (HDAC4) in complex with a SMRT corepressor SP2 fragment
分子名称: Histone deacetylase 4, POTASSIUM ION, SMRT corepressor SP2 fragment, ...
著者Park, S.Y, Hwang, H.J, Kim, J.S.
登録日2018-04-13
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.698 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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