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5ICN
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BU of 5icn by Molmil
HDAC1:MTA1 in complex with inositol-6-phosphate and a novel peptide inhibitor based on histone H4
Descriptor: GLY-ALA-6A0-ARG-HIS, Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, ...
Authors:Millard, C.J, Robertson, N.S, Watson, P.J, Jameson, A.G, Schwabe, J.W.R.
Deposit date:2016-02-23
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Insights into the activation mechanism of class I HDAC complexes by inositol phosphates.
Nat Commun, 7, 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
5G1C
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BU of 5g1c by Molmil
Structure of HDAC like protein from Bordetella Alcaligenes bound the photoswitchable pyrazole Inhibitor CEW395
Descriptor: (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide, DI(HYDROXYETHYL)ETHER, HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE, ...
Authors:Kraemer, A, Meyer-Almes, F.J, Yildiz, O.
Deposit date:2016-03-24
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Toward Photopharmacological Antimicrobial Chemotherapy Using Photoswitchable Amidohydrolase Inhibitors.
ACS Infect Dis, 3, 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
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
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
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
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
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
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
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
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
5G0J
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BU of 5g0j by Molmil
Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker intact) in complex with Nexturastat A
Descriptor: CHLORIDE ION, HDAC6, NEXTURASTAT A, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G0I
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BU of 5g0i by Molmil
Crystal structure of Danio rerio HDAC6 CD1 and CD2 (linker cleaved) in complex with Nexturastat A
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, HDAC6, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G0H
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BU of 5g0h by Molmil
Crystal structure of Danio rerio HDAC6 CD2 in complex with (S)- trichostatin A
Descriptor: 1,2-ETHANEDIOL, HDAC6, POTASSIUM ION, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5G0G
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BU of 5g0g by Molmil
Crystal structure of Danio rerio HDAC6 CD1 in complex with trichostatin A
Descriptor: CHLORIDE ION, HDAC6, SODIUM ION, ...
Authors:Miyake, Y, Keusch, J.J, Wang, L, Saito, M, Hess, D, Wang, X, Melancon, B.J, Helquist, P, Gut, H, Matthias, P.
Deposit date:2016-03-18
Release date:2016-07-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.499 Å)
Cite:Structural Insights Into Hdac6 Tubulin Deacetylation and its Selective Inhibition
Nat.Chem.Biol., 12, 2016
5FUE
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BU of 5fue by Molmil
Crystal structure of Schistosoma mansoni HDAC8 complexed with 3- benzamido-benzohydroxamate
Descriptor: 3-(benzoylamino)-N-oxobenzamide, DIMETHYLFORMAMIDE, GLYCEROL, ...
Authors:Marek, M, Romier, C.
Deposit date:2016-01-26
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Structure-Based Design and Synthesis of Novel Inhibitors Targeting Hdac8 from Schistosoma Mansoni for the Treatment of Schistosomiasis.
J.Med.Chem., 59, 2016
5FCW
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BU of 5fcw by Molmil
HDAC8 Complexed with a Hydroxamic Acid
Descriptor: 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Cole, K.E, Perry, K.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:Structure of 'linkerless' hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket.
J.Struct.Biol., 195, 2016
5EFN
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BU of 5efn by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (H574A) in complex with histone H4 Lys6 tripeptide substrate
Descriptor: 1,2-ETHANEDIOL, 7-AMINO-4-METHYL-CHROMEN-2-ONE, Hdac6 protein, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-24
Release date:2016-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.804 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
5EFK
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BU of 5efk by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (Y745F mutant) in complex with alpha tubulin K40 tripeptide substrate
Descriptor: 1,2-ETHANEDIOL, 7-AMINO-4-METHYL-CHROMEN-2-ONE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-23
Release date:2016-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
5EFJ
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BU of 5efj by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HC toxin
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HC toxin, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-23
Release date:2016-07-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
5EFH
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BU of 5efh by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trifluoroketone transition state analogue
Descriptor: 1,2-ETHANEDIOL, 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, BROMIDE ION, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-23
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
5EFG
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BU of 5efg by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with acetate
Descriptor: ACETATE ION, Hdac6 protein, POTASSIUM ION, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-23
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
5EFB
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BU of 5efb by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with oxamflatin
Descriptor: Hdac6 protein, Oxamflatin, POTASSIUM ION, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-23
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016
5EF8
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BU of 5ef8 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with panobinostat
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Hdac6 protein, ...
Authors:Hai, Y, Christianson, D.W.
Deposit date:2015-10-23
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Histone deacetylase 6 structure and molecular basis of catalysis and inhibition.
Nat.Chem.Biol., 12, 2016

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數據於2024-06-12公開中

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