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9B3T
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BU of 9b3t by Molmil
Octameric prenyltransferase domain of linkerless Fusicoccadiene synthase with C2 symmetry without associated cyclase domains
Descriptor: Fusicoccadiene synthase
Authors:Wenger, E.S, Schultz, K, Marmorstein, R, Christianson, D.W.
Deposit date:2024-03-20
Release date:2024-09-25
Last modified:2024-12-04
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Engineering substrate channeling in a bifunctional terpene synthase.
Proc.Natl.Acad.Sci.USA, 121, 2024
7KJ8
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BU of 7kj8 by Molmil
Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and pamidronate
Descriptor: MAGNESIUM ION, PAMIDRONATE, SULFATE ION, ...
Authors:Ronnebaum, T.A, Gardner, S.M, Christianson, D.W.
Deposit date:2020-10-26
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways.
Biochemistry, 59, 2020
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
7SGJ
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BU of 7sgj by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-711
Descriptor: 1,2-ETHANEDIOL, 4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide, DI(HYDROXYETHYL)ETHER, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
7SGI
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BU of 7sgi by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Inhibitor 14
Descriptor: 5-[(2-anilino-2-oxoethyl)(methyl)amino]-N-hydroxypentanamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
6CA2
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BU of 6ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
9DM6
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BU of 9dm6 by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with an ethylhydrazide inhibitor
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(2-ethylhydrazine-1-carbonyl)phenyl]methyl}benzamide, ...
Authors:Gaynes, M.N, Watson, P.R, Konig, B, Christianson, D.W.
Deposit date:2024-09-12
Release date:2025-02-26
Last modified:2025-03-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Exploring Alternative Zinc-Binding Groups in Histone Deacetylase (HDAC) Inhibitors Uncovers DS-103 as a Potent Ethylhydrazide-Based HDAC Inhibitor with Chemosensitizing Properties.
J.Med.Chem., 68, 2025
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
9D2A
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BU of 9d2a by Molmil
Crystal structure of (+)-sabinene synthase from Thuja plicata: condition 3
Descriptor: 1,2-ETHANEDIOL, COBALT (II) ION, Sabinene synthase
Authors:Gaynes, M.N, Christianson, D.W.
Deposit date:2024-08-08
Release date:2024-11-27
Last modified:2024-12-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure and Function of Sabinene Synthase, a Monoterpene Cyclase That Generates a Highly Strained [3.1.0] Bicyclic Product.
Biochemistry, 63, 2024
9D28
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BU of 9d28 by Molmil
Crystal structure of (+)-sabinene synthase from Thuja plicata
Descriptor: Sabinene synthase
Authors:Gaynes, M.N, Christianson, D.W.
Deposit date:2024-08-08
Release date:2024-11-27
Last modified:2024-12-11
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and Function of Sabinene Synthase, a Monoterpene Cyclase That Generates a Highly Strained [3.1.0] Bicyclic Product.
Biochemistry, 63, 2024
9D29
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BU of 9d29 by Molmil
Crystal structure of (+)-sabinene synthase from Thuja plicata: condition 2
Descriptor: GLYCEROL, SULFATE ION, Sabinene synthase
Authors:Gaynes, M.N, Christianson, D.W.
Deposit date:2024-08-08
Release date:2024-11-27
Last modified:2024-12-11
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structure and Function of Sabinene Synthase, a Monoterpene Cyclase That Generates a Highly Strained [3.1.0] Bicyclic Product.
Biochemistry, 63, 2024
6CW8
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BU of 6cw8 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with RTS-V5
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2018-03-30
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
J. Med. Chem., 61, 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
6DVL
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BU of 6dvl by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-115
Descriptor: Hdac6 protein, N-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide, POTASSIUM ION, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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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BU of 6dvn by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-137
Descriptor: 1,2-ETHANEDIOL, Hdac6 protein, N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}benzamide, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
7SGG
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BU of 7sgg by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with SAHA
Descriptor: DI(HYDROXYETHYL)ETHER, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
9E2I
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BU of 9e2i by Molmil
Variediene synthase with six cyclases
Descriptor: Variediene synthase
Authors:Wenger, E.S, Christianson, D.W.
Deposit date:2024-10-22
Release date:2025-05-21
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Variediene synthase with six cyclases
To Be Published
9E2M
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BU of 9e2m by Molmil
Variediene synthase with one cyclase (conformation 3)
Descriptor: PYROPHOSPHATE 2-, Variediene synthase
Authors:Wenger, E.S, Christianson, D.W.
Deposit date:2024-10-22
Release date:2025-05-21
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Variediene synthase hexameric prenyltransferase core
To Be Published
7SGK
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BU of 7sgk by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with DKFZ-728
Descriptor: N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2021-10-05
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aza-SAHA Derivatives Are Selective Histone Deacetylase 10 Chemical Probes That Inhibit Polyamine Deacetylation and Phenocopy HDAC10 Knockout.
J.Am.Chem.Soc., 144, 2022
9E2H
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BU of 9e2h by Molmil
Variediene synthase hexameric prenyltransferase core
Descriptor: Variediene synthase
Authors:Wenger, E.S, Christianson, D.W.
Deposit date:2024-10-22
Release date:2025-05-21
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Variediene synthase hexameric prenyltransferase core
To Be Published
9E2L
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BU of 9e2l by Molmil
Variediene synthase with one cyclase (conformation 2)
Descriptor: PYROPHOSPHATE 2-, Variediene synthase
Authors:Wenger, E.S, Christianson, D.W.
Deposit date:2024-10-22
Release date:2025-05-21
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Variediene synthase with one cyclase (conformation 2)
To Be Published
9E2J
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BU of 9e2j by Molmil
Variediene synthase with five cyclases
Descriptor: Variediene synthase
Authors:Wenger, E.S, Christianson, D.W.
Deposit date:2024-10-22
Release date:2025-05-21
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Variediene synthase with five cyclases
To Be Published
9E2K
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BU of 9e2k by Molmil
Variediene synthase with one cyclase (conformation 1)
Descriptor: PYROPHOSPHATE 2-, Variediene synthase
Authors:Wenger, E.S, Christianson, D.W.
Deposit date:2024-10-22
Release date:2025-05-21
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Variediene synthase hexameric prenyltransferase core
To Be Published
9CBH
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BU of 9cbh by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminomethyl Phenylthioketone
Descriptor: 1-[4-(aminomethyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Goulart Stollmaier, J, Christianson, D.W.
Deposit date:2024-06-19
Release date:2024-09-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10.
Acs Med.Chem.Lett., 15, 2024

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