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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
Descriptor: Hdac6 protein, N-[(benzyloxy)carbonyl]-L-leucyl-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-L-alaninamide, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-08-01
Release date:2020-02-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Exploring Structural Determinants of Inhibitor Affinity and Selectivity in Complexes with Histone Deacetylase 6.
J.Med.Chem., 63, 2020
1AM6
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BU of 1am6 by Molmil
CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE
Descriptor: ACETOHYDROXAMIC ACID, CARBONIC ANHYDRASE, MERCURY (II) ION, ...
Authors:Scolnick, L.R, Clements, A.M, Christianson, D.W.
Deposit date:1997-06-24
Release date:1998-06-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Binding Mode of Hydroxamate Inhibitors to Human Carbonic Anhydrase II
J.Am.Chem.Soc., 119, 1997
4LA5
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BU of 4la5 by Molmil
Crystal structure of 2-methylisoborneol synthase from Streptomyces coelicolor A3(2)
Descriptor: 2-methylisoborneol synthase
Authors:Koksal, M, Christianson, D.W.
Deposit date:2013-06-19
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Unexpected reactivity of 2-fluorolinalyl diphosphate in the active site of crystalline 2-methylisoborneol synthase.
Biochemistry, 52, 2013
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
6EGK
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BU of 6egk by Molmil
T181N Cucumene Synthase
Descriptor: Cucumene Synthase
Authors:Blank, P.N, Pemberton, T.A, Christianson, D.W.
Deposit date:2018-08-20
Release date:2018-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structure of Cucumene Synthase, a Terpenoid Cyclase That Generates a Linear Triquinane Sesquiterpene.
Biochemistry, 57, 2018
6OS3
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BU of 6os3 by Molmil
Crystal structure of native CymD prenyltransferase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CymD prenyltransferase
Authors:Roose, B.W, Christianson, D.W.
Deposit date:2019-05-01
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
Biochemistry, 58, 2019
1A6F
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BU of 1a6f by Molmil
RNASE P PROTEIN FROM BACILLUS SUBTILIS
Descriptor: RIBONUCLEASE P PROTEIN, SULFATE ION, ZINC ION
Authors:Stams, T, Christianson, D.W.
Deposit date:1998-02-24
Release date:1999-03-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ribonuclease P protein structure: evolutionary origins in the translational apparatus.
Science, 280, 1998
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
6DVM
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BU of 6dvm by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide, ...
Authors:Porter, N.J, Christianson, D.W.
Deposit date:2018-06-24
Release date:2018-08-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
6DVO
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BU of 6dvo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with Bavarostat
Descriptor: 1,2-ETHANEDIOL, 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide, Hdac6 protein, ...
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 (1.98 Å)
Cite:Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
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
Descriptor: 1,2-ETHANEDIOL, 6-[(3-aminopropyl)amino]-N-hydroxyhexanamide, Acetylpolyamine amidohydrolase, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-26
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
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
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
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
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
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
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
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
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
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
9CBK
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BU of 9cbk by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 6 in Complex with p-Aminomethyl Phenylthioketone
Descriptor: 1,2-ETHANEDIOL, 1-[4-(aminomethyl)phenyl]-2-sulfanylethan-1-one, Hdac6 protein, ...
Authors:Goulart Stollmaier, J, Watson, P.R, Christianson, D.W.
Deposit date:2024-06-19
Release date:2024-09-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10.
Acs Med.Chem.Lett., 15, 2024
9CBJ
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BU of 9cbj by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with p-Aminopropyl Phenylthioketone
Descriptor: 1,2-ETHANEDIOL, 1-[4-(3-aminopropyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE 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 (2.48 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10.
Acs Med.Chem.Lett., 15, 2024
9CBG
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BU of 9cbg by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with m-Aminoethyl Phenylthioketone
Descriptor: 1,2-ETHANEDIOL, 1-[3-(2-aminoethyl)phenyl]-2-sulfanylethan-1-one, PHOSPHATE 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 (2.6 Å)
Cite:Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10.
Acs Med.Chem.Lett., 15, 2024

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