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6CGP
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BU of 6cgp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2018-02-20
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors.
Org. Lett., 20, 2018
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
6CSP
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BU of 6csp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexenylhydroxamate
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
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 (1.237 Å)
Cite:Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018
6CSS
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BU of 6css by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclopentenylhydroxamate
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxycyclopent-1-ene-1-carboxamide, ...
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 (1.7 Å)
Cite:Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018
6CSQ
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BU of 6csq by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with cyclohexylhydroxamate
Descriptor: Hdac6 protein, N-hydroxycyclohexanecarboxamide, POTASSIUM ION, ...
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 (2.031 Å)
Cite:Entropy as a Driver of Selectivity for Inhibitor Binding to Histone Deacetylase 6.
Biochemistry, 57, 2018
5WGL
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BU of 5wgl by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ricolinostat (ACY-1215)
Descriptor: 1,2-ETHANEDIOL, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide, CITRATE ANION, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-07-14
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WGM
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BU of 5wgm by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ACY-1083
Descriptor: 1,2-ETHANEDIOL, 2-[(4,4-difluoro-1-phenylcyclohexyl)amino]-N-hydroxypyrimidine-5-carboxamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-07-14
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WGK
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BU of 5wgk by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HPB
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Hdac6 protein, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-07-14
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WGI
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BU of 5wgi by Molmil
Ultrahigh resolution crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with TSA
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2017-07-14
Release date:2017-12-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Unusual zinc-binding mode of HDAC6-selective hydroxamate inhibitors.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
5TD7
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BU of 5td7 by Molmil
Crystal structure of histone deacetylase 10
Descriptor: 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, PENTAETHYLENE GLYCOL, PHOSPHATE ION, ...
Authors:Hai, Y, Shinsky, S.A, Porter, N.J, Christianson, D.W.
Deposit date:2016-09-17
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Histone deacetylase 10 structure and molecular function as a polyamine deacetylase.
Nat Commun, 8, 2017
5G17
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BU of 5g17 by Molmil
Bordetella Alcaligenes HDAH (T101A) bound to 9,9,9-trifluoro-8,8- dihydroxy-N-phenylnonanamide.
Descriptor: 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, POTASSIUM ION, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-23
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
5G1A
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BU of 5g1a by Molmil
Bordetella Alcaligenes HDAH bound to PFSAHA
Descriptor: 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-24
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
5G1B
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BU of 5g1b by Molmil
Bordetella Alcaligenes HDAH native
Descriptor: DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, PENTAETHYLENE GLYCOL, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-24
Release date:2017-04-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The thermodynamic signature of ligand binding to histone deacetylase-like amidohydrolases is most sensitive to the flexibility in the L2-loop lining the active site pocket.
Biochim. Biophys. Acta, 1861, 2017
5THS
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BU of 5ths by Molmil
Crystal Structure of G302A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
5THU
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BU of 5thu by Molmil
Crystal Structure of G304A HDAC8 in complex with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
5THV
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BU of 5thv by Molmil
Crystal Structure of G305A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
5THT
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BU of 5tht by Molmil
Crystal Structure of G303A HDAC8 in complex with M344
Descriptor: 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2016-09-30
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Structural and Functional Influence of the Glycine-Rich Loop G302GGGY on the Catalytic Tyrosine of Histone Deacetylase 8.
Biochemistry, 55, 2016
5G0Y
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BU of 5g0y by Molmil
Pseudomonas aeruginosa HDAH unliganded.
Descriptor: HDAH, POTASSIUM ION, ZINC ION
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-23
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
5G12
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BU of 5g12 by Molmil
Pseudomonas aeruginosa HDAH (Y313F) unliganded.
Descriptor: HDAH, POTASSIUM ION, ZINC ION
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-23
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
5G13
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BU of 5g13 by Molmil
Pseudomonas aeruginosa HDAH (H143A) unliganded.
Descriptor: HDAH, POTASSIUM ION, ZINC ION
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-23
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
5G0X
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BU of 5g0x by Molmil
Pseudomonas aeruginosa HDAH bound to acetate.
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, HDAH, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-23
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
5G10
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BU of 5g10 by Molmil
Pseudomonas aeruginosa HDAH bound to 9,9,9 trifluoro-8,8-dihydroy-N-phenylnonanamide
Descriptor: 9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide, HDAH, POTASSIUM ION, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-23
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
5G11
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BU of 5g11 by Molmil
Pseudomonas aeruginosa HDAH bound to PFSAHA.
Descriptor: 2,2,3,3,4,4,5,5,6,6,7,7-dodecakis(fluoranyl)-~{N}-oxidanyl-~{N}'-phenyl-octanediamide, HDAH, POTASSIUM ION, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-23
Release date:2016-11-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structure of a Histone Deacetylase Homologue from Pseudomonas aeruginosa.
Biochemistry, 55, 2016
5G3W
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BU of 5g3w by Molmil
Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65
Descriptor: (2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-05-02
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 2017

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