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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
分子名称: 1,2-ETHANEDIOL, 1-[2-(benzylamino)ethyl]-N-hydroxypiperidine-4-carboxamide, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2022-03-01
公開日2023-01-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献First Fluorescent Acetylspermidine Deacetylation Assay for HDAC10 Identifies Selective Inhibitors with Cellular Target Engagement.
Chembiochem, 23, 2022
3G1R
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BU of 3g1r by Molmil
Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and Finasteride. Resolution 1.70 A
分子名称: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide, 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W.
登録日2009-01-30
公開日2009-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Inhibition of human steroid 5beta-reductase (AKR1D1) by finasteride and structure of the enzyme-inhibitor complex.
J.Biol.Chem., 284, 2009
3G4F
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BU of 3g4f by Molmil
Crystal Structure of (+)- -Cadinene Synthase from Gossypium arboreum in complex with 2-fluorofarnesyl diphosphate
分子名称: (+)-delta-cadinene synthase isozyme XC1, (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, BETA-MERCAPTOETHANOL, ...
著者Gennadios, H.A, Di Costanzo, L, Christianson, D.W.
登録日2009-02-03
公開日2009-06-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis.
Biochemistry, 48, 2009
3GN0
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BU of 3gn0 by Molmil
Crystal structure of human arginase I in complex with difluoromethylornithine (DFMO)
分子名称: ALPHA-DIFLUOROMETHYLORNITHINE, Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2009-03-15
公開日2010-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Binding of alpha,alpha-Disubstituted Amino Acids to Arginase Suggests New Avenues for Inhibitor Design
J.Med.Chem., 54, 2011
3GMZ
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BU of 3gmz by Molmil
Crystal of human arginase in complex with L-ornithine. Resolution 1.43 A.
分子名称: Arginase-1, L-ornithine, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2009-03-15
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Binding of alpha,alpha-Disubstituted Amino Acids to Arginase Suggests New Avenues for Inhibitor Design
J.Med.Chem., 54, 2011
2IER
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BU of 2ier by Molmil
Crystal Structure of Aquifex aeolicus LpxC Complexed with Uridine 5'-Diphosphate
分子名称: GLYCEROL, PALMITIC ACID, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
著者Gennadios, H.A, Christianson, D.W.
登録日2006-09-19
公開日2007-01-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Binding of Uridine 5-Diphosphate in the Basic Patch of the Zinc Metalloenzyme Deacetylase LpxC and Implications for Substrate Binding
Biochemistry, 45, 2006
5BWZ
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BU of 5bwz by Molmil
Crystal structure of S39E HDAC8 in complex with Droxinostat
分子名称: Droxinostat, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Christianson, D.W.
登録日2015-06-08
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Phosphorylation of Histone Deacetylase 8: Structural and Mechanistic Analysis of the Phosphomimetic S39E Mutant.
Biochemistry, 58, 2019
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
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Alexander, R.S, Christianson, D.W.
登録日1991-06-08
公開日1992-10-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Conformational mobility of His-64 in the Thr-200----Ser mutant of human carbonic anhydrase II.
Biochemistry, 30, 1991
5DC7
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BU of 5dc7 by Molmil
Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
6WYO
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BU of 6wyo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) H82F F202Y double mutant complexed with Trichostatin A
分子名称: Histone deacetylase 6, POTASSIUM ION, TRICHOSTATIN A, ...
著者Osko, J.D, Christianson, D.W.
登録日2020-05-13
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.30000281 Å)
主引用文献Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2020-05-01
公開日2021-04-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
5HJ9
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BU of 5hj9 by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHPE
分子名称: 1,2-ETHANEDIOL, Arginase, GLYCEROL, ...
著者Hai, Y, Christianson, D.W.
登録日2016-01-13
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Crystal structures of Leishmania mexicana arginase complexed with alpha , alpha-disubstituted boronic amino-acid inhibitors.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5I1U
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BU of 5i1u by Molmil
Crystal structure of germacradien-4-ol synthase from Streptomyces citricolor
分子名称: Germacradien-4-ol synthase, SULFATE ION
著者Chen, M, Christianson, D.W.
登録日2016-02-06
公開日2016-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mechanism of Germacradien-4-ol Synthase-Controlled Water Capture.
Biochemistry, 55, 2016
6WYQ
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BU of 6wyq by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with 4-iodo-SAHA
分子名称: Histone deacetylase 6, N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2020-05-13
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.90001464 Å)
主引用文献Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
6WDY
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BU of 6wdy by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Indole Phenylhydroxamate Inhibitor
分子名称: 1,2-ETHANEDIOL, N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide, PHOSPHATE ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-04-01
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
6WDW
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BU of 6wdw by Molmil
Crystal Structure of Danio rerio Histone Deacetylase 10 in Complex with Dimethylaminoethylindole Phenylhydroxamate Inhibitor
分子名称: 4-({3-[2-(dimethylamino)ethyl]-1H-indol-1-yl}methyl)-N-hydroxybenzamide, PHOSPHATE ION, POTASSIUM ION, ...
著者Herbst-Gervasoni, C.J, Christianson, D.W.
登録日2020-04-01
公開日2020-07-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for the Selective Inhibition of HDAC10, the Cytosolic Polyamine Deacetylase.
Acs Chem.Biol., 15, 2020
5IMP
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BU of 5imp by Molmil
Crystal structure of N299A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
分子名称: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.038 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5IMN
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BU of 5imn by Molmil
Crystal structure of N299A/S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
分子名称: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.527 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5IVG
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BU of 5ivg by Molmil
Crystal structure of Aspergillus terreus aristolochene synthase N299A complexed with farnesyl thiolodiphosphate
分子名称: Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-20
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
6WYP
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BU of 6wyp by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with SAHA-BPyne
分子名称: Histone deacetylase 6, N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide, POTASSIUM ION, ...
著者Osko, J.D, Christianson, D.W.
登録日2020-05-13
公開日2020-09-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.40006351 Å)
主引用文献Binding of inhibitors to active-site mutants of CD1, the enigmatic catalytic domain of histone deacetylase 6.
Acta Crystallogr.,Sect.F, 76, 2020
5IN8
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BU of 5in8 by Molmil
Crystal structure of Q151H Aspergillus terreus aristolochene synthase
分子名称: Aristolochene synthase, GLYCEROL, MAGNESIUM ION, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-07
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5IMI
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BU of 5imi by Molmil
Crystal structure of S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium
分子名称: (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ...
著者Chen, M, Christianson, D.W.
登録日2016-03-06
公開日2016-05-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.462 Å)
主引用文献Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
5HJA
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BU of 5hja by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHDP
分子名称: (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid, Arginase, GLYCEROL, ...
著者Hai, Y, Christianson, D.W.
登録日2016-01-13
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of Leishmania mexicana arginase complexed with alpha , alpha-disubstituted boronic amino-acid inhibitors.
Acta Crystallogr F Struct Biol Commun, 72, 2016
1VJ5
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BU of 1vj5 by Molmil
Human soluble Epoxide Hydrolase- N-cyclohexyl-N'-(4-iodophenyl)urea complex
分子名称: HEXAETHYLENE GLYCOL, MAGNESIUM ION, N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA, ...
著者Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W.
登録日2004-02-03
公開日2004-04-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of human epoxide hydrolase reveals mechanistic inferences on bifunctional catalysis in epoxide and phosphate ester hydrolysis
Biochemistry, 43, 2004
1YDC
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BU of 1ydc by Molmil
STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II
分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
著者Nair, S.K, Christianson, D.W.
登録日1994-12-22
公開日1995-02-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis of inhibitor affinity to variants of human carbonic anhydrase II.
Biochemistry, 34, 1995

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