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2FOS
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BU of 2fos by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: COPPER (II) ION, Carbonic Anhydrase II, ZINC ION, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-13
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2GO3
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BU of 2go3 by Molmil
Crystal structure of Aquifex aeolicus LpxC complexed with imidazole.
Descriptor: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
Authors:Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W.
Deposit date:2006-04-12
Release date:2006-07-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
5CA2
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BU of 5ca2 by Molmil
CONFORMATIONAL MOBILITY OF HIS-64 IN THE THR-200 (RIGHT ARROW) SER MUTANT OF HUMAN CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-06-08
Release date:1992-10-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational mobility of His-64 in the Thr-200----Ser mutant of human carbonic anhydrase II.
Biochemistry, 30, 1991
7U69
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BU of 7u69 by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Phenethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
Descriptor: (2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U3M
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BU of 7u3m by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with N-methylpiperazine Benzhydroxamic Acid
Descriptor: N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-02-27
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U6B
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BU of 7u6b by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indolethyl Piperidine-4-acrylhydroxamic Acid Inhibitor
Descriptor: (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
7U6A
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BU of 7u6a by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with 3-thienylmethyl Benzhydroxamic Acid Inhibitor
Descriptor: 1,2-ETHANEDIOL, N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-03
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells.
Eur.J.Med.Chem., 234, 2022
5BWZ
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BU of 5bwz by Molmil
Crystal structure of S39E HDAC8 in complex with Droxinostat
Descriptor: Droxinostat, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Christianson, D.W.
Deposit date:2015-06-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Phosphorylation of Histone Deacetylase 8: Structural and Mechanistic Analysis of the Phosphomimetic S39E Mutant.
Biochemistry, 58, 2019
7U59
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BU of 7u59 by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Piperidine-4-hydroxamic acid Inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide, PHOSPHATE ION, ...
Authors:Herbst-Gervasoni, C.J, Christianson, D.W.
Deposit date:2022-03-01
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Selective Inhibitors with Cellular Target Engagement.
Chembiochem, 23, 2022
5DC7
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BU of 5dc7 by Molmil
Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate
Descriptor: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Lee, M.S, Christianson, D.W.
Deposit date:2015-08-23
Release date:2016-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
5DC5
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BU of 5dc5 by Molmil
Crystal structure of D176N HDAC8 in complex with M344
Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
Authors:Decroos, C, Lee, M.S, Christianson, D.W.
Deposit date:2015-08-23
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
5DC6
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BU of 5dc6 by Molmil
Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate
Descriptor: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Lee, M.S, Christianson, D.W.
Deposit date:2015-08-23
Release date:2016-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
1VJ5
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BU of 1vj5 by Molmil
Human soluble Epoxide Hydrolase- N-cyclohexyl-N'-(4-iodophenyl)urea complex
Descriptor: HEXAETHYLENE GLYCOL, MAGNESIUM ION, N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA, ...
Authors:Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W.
Deposit date:2004-02-03
Release date:2004-04-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis
Biochemistry, 43, 2004
5DC8
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BU of 5dc8 by Molmil
Crystal structure of H142A-Y306F HDAC8 in complex with a tetrapeptide substrate
Descriptor: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
Authors:Decroos, C, Lee, M.S, Christianson, D.W.
Deposit date:2015-08-23
Release date:2016-02-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
5DW7
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BU of 5dw7 by Molmil
Crystal structure of the unliganded geosmin synthase N-terminal domain from Streptomyces coelicolor
Descriptor: Germacradienol/geosmin synthase
Authors:Lombardi, P.M, Harris, G.G, Pemberton, T.A, Matsui, T, Weiss, T.M, Cole, K.E, Koksal, M, Murphy, F.V, Vedula, L.S, Chou, W.K, Cane, D.E, Christianson, D.W.
Deposit date:2015-09-22
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Structural Studies of Geosmin Synthase, a Bifunctional Sesquiterpene Synthase with alpha alpha Domain Architecture That Catalyzes a Unique Cyclization-Fragmentation Reaction Sequence.
Biochemistry, 54, 2015
2Z6M
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BU of 2z6m by Molmil
Crystal structure of Human Ferritin H8 as biotemplate for noble metal nanoparticle synthesis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Ferritin heavy chain, ...
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2007-08-04
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Directing noble metal ion chemistry within a designed ferritin protein
Biochemistry, 47, 2008
2ZAV
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BU of 2zav by Molmil
Arginase I (homo sapiens): native and unliganded structure at 1.70 A resolution
Descriptor: Arginase-1, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2007-10-11
Release date:2007-10-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human arginase I complexed with thiosemicarbazide reveals an unusual thiocarbonyl mu-sulfide ligand in the binuclear manganese cluster
J.Am.Chem.Soc., 129, 2007
6O9Q
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BU of 6o9q by Molmil
Wild-type SaSQS1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Sesquisabinene B synthase 1
Authors:Blank, P.N, Christianson, D.W.
Deposit date:2019-03-14
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Sesquisabinene Synthase 1, a Terpenoid Cyclase That Generates a Strained [3.1.0] Bridged-Bicyclic Product.
Acs Chem.Biol., 14, 2019
6O9P
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BU of 6o9p by Molmil
Wild-type SaSQS1 Complexed with Ibandronate
Descriptor: 1,2-ETHANEDIOL, IBANDRONATE, MAGNESIUM ION, ...
Authors:Blank, P.N, Christianson, D.W.
Deposit date:2019-03-14
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Sesquisabinene Synthase 1, a Terpenoid Cyclase That Generates a Strained [3.1.0] Bridged-Bicyclic Product.
Acs Chem.Biol., 14, 2019
6OS6
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BU of 6os6 by Molmil
Crystal structure of CymD prenyltransferase complexed with L-tryptophan and DMSPP
Descriptor: BENZOIC ACID, CHLORIDE ION, 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 (1.33 Å)
Cite:Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
Biochemistry, 58, 2019
6OFV
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BU of 6ofv by Molmil
F95Q Epi-isozizaene synthase
Descriptor: Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ...
Authors:Blank, P.N, Christianson, D.W.
Deposit date:2019-04-01
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of F95Q epi-isozizaene synthase, an engineered sesquiterpene cyclase that generates biofuel precursors beta- and gamma-curcumene.
J.Struct.Biol., 207, 2019
6OS5
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BU of 6os5 by Molmil
Crystal structure of CymD prenyltransferase complexed with L-tryptophan
Descriptor: BENZOIC ACID, CymD prenyltransferase, DIPHOSPHATE, ...
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 (1.66 Å)
Cite:Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD.
Biochemistry, 58, 2019
6PHT
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BU of 6pht by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 5-[(3-aminopropyl)amino]pentylboronic acid
Descriptor: Acetylpolyamine amidohydrolase, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Osko, J.D, Christianson, D.W.
Deposit date:2019-06-25
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PID
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BU of 6pid by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with 8-amino-N-hydroxyoctanamide
Descriptor: 8-amino-N-hydroxyoctanamide, Acetylpolyamine amidohydrolase, MAGNESIUM ION, ...
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 (1.546 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019
6PI8
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BU of 6pi8 by Molmil
Crystal structure of Marinobacter subterrani acetylpolyamine amidohydrolase (msAPAH) complexed with acetate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, 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 (1.635 Å)
Cite:Structure and Function of the Acetylpolyamine Amidohydrolase from the Deep Earth HalophileMarinobacter subterrani.
Biochemistry, 58, 2019

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