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5URO
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BU of 5uro by Molmil
Structure of a soluble epoxide hydrolase identified in Trichoderma reesei
分子名称: 2,2'-oxydi(ethyn-1-ol), Predicted protein
著者Wilson, C, de Oliveira, G, Chambergo, F, Dias, M.V.B.
登録日2017-02-11
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Structure of a soluble epoxide hydrolase identified in Trichoderma reesei.
Biochim. Biophys. Acta, 1865, 2017
5UY1
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BU of 5uy1 by Molmil
X-ray crystal structure of apo Halotag
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase
著者Dunham, N.P, Boal, A.K.
登録日2017-02-23
公開日2017-03-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
5IE6
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BU of 5ie6 by Molmil
Crystal structure of a lactonase mutant in complex with substrate b
分子名称: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
著者Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2016-02-25
公開日2017-01-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5UXZ
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BU of 5uxz by Molmil
X-ray crystal structure of Halotag bound to the P9 benzothiadiazole fluorogenic ligand
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Dunham, N.P, Boal, A.K.
登録日2017-02-23
公開日2017-03-08
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献The Cation-pi Interaction Enables a Halo-Tag Fluorogenic Probe for Fast No-Wash Live Cell Imaging and Gel-Free Protein Quantification.
Biochemistry, 56, 2017
5UNO
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BU of 5uno by Molmil
Crystal Structure of Hip1 (Rv2224c)
分子名称: Carboxylesterase A
著者Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
登録日2017-01-31
公開日2017-04-12
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
4WDQ
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BU of 4wdq by Molmil
Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26
分子名称: CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION
著者Degtjarik, O, Rezacova, P, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I.
登録日2014-09-09
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26
Acs Catalysis, 2016
4WCV
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BU of 4wcv by Molmil
Haloalkane dehalogenase DhaA mutant from Rhodococcus rhodochrous (T148L+G171Q+A172V+C176G)
分子名称: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Holubeva, T, Prudnikova, T, Kuta-Smatanova, I, Rezacova, P.
登録日2014-09-05
公開日2014-10-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Balancing the stability-activity trade-off by fine-tuning dehalogenase access tunnels
Chemcatchem, 2015
4WDR
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BU of 4wdr by Molmil
Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26
分子名称: CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase
著者Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I.
登録日2014-09-09
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26
Acs Catalysis, 2016
4X6X
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BU of 4x6x by Molmil
Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative
分子名称: 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2
著者Chiyo, N, Takai, K, Ishii, T.
登録日2014-12-09
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4X00
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BU of 4x00 by Molmil
X-ray crystal structure of a putative aryl esterase from Burkholderia cenocepacia
分子名称: 1,2-ETHANEDIOL, FLUORIDE ION, GLYCEROL, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2014-11-20
公開日2014-12-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献X-ray crystal structure of a putative aryl esterase from Burkholderia cenocepacia
to be published
4X6Y
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BU of 4x6y by Molmil
Human soluble epoxide hydrolase in complex with a cyclopropyl urea derivative
分子名称: 4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Bifunctional epoxide hydrolase 2
著者Chiyo, N, Takai, K, Ishii, T.
登録日2014-12-09
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6S42
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BU of 6s42 by Molmil
The double mutant(Ile44Leu+Gln102His) of haloalkane dehalogenase DbeA from Bradyrhizobium elkanii USDA94 with an eliminated halide-binding site
分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, Haloalkane dehalogenase, ...
著者Pudnikova, T, Mesters, J.R, Kuta Smatanova, I.
登録日2019-06-26
公開日2020-02-05
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystallization and Crystallographic Analysis of a Bradyrhizobium Elkanii USDA94 Haloalkane Dehalogenase Variant with an Eliminated Halide-Binding Site
Crystals, 2019
6S06
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BU of 6s06 by Molmil
Crystal structure of haloalkane dehalogenase LinB D147C+L177C mutant (LinB73) from Sphingobium japonicum UT26
分子名称: CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION
著者Iermak, I, Mesters, J.R, Degtjarik, O, Chaloupkova, R, Kuta Smatanova, I.
登録日2019-06-14
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Description of Transport Tunnel in Haloalkane Dehalogenase Variant LinB D147C+L177C from Sphingobium japonicum
Catalysts, 2021
6SP5
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BU of 6sp5 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA115
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ...
著者Chmelova, K, Markova, K, Damborsky, J, Marek, M.
登録日2019-08-30
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
2B61
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BU of 2b61 by Molmil
Crystal Structure of Homoserine Transacetylase
分子名称: Homoserine O-acetyltransferase
著者Mirza, I.A, Nazi, I, Korczynska, M, Wright, G.D, Berghuis, A.M.
登録日2005-09-29
公開日2005-11-15
最終更新日2018-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structure of Homoserine Transacetylase from Haemophilus influenzae Reveals a New Family of alpha/beta-Hydrolases
Biochemistry, 44, 2005
6SP8
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BU of 6sp8 by Molmil
Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ...
著者Chmelova, K, Markova, K, Damborsky, J, Marek, M.
登録日2019-08-31
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst.
Chem Sci, 11, 2020
6T6X
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BU of 6t6x by Molmil
Structure of the Bottromycin epimerase BotH in complex with substrate
分子名称: (4~{R})-2-[(1~{R})-1-[[(2~{S})-2-[[(2~{S})-3-methyl-2-[[(4~{Z},6~{S},9~{S},12~{S})-2,8,11-tris(oxidanylidene)-6,9-di(propan-2-yl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]butanoyl]amino]-3-phenyl-propanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid, BotH
著者Koehnke, J, Sikandar, A.
登録日2019-10-20
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6H
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BU of 6t6h by Molmil
Apo structure of the Bottromycin epimerase BotH
分子名称: BotH, SODIUM ION, SULFATE ION
著者Koehnke, J, Sikandar, A.
登録日2019-10-18
公開日2020-07-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6Z
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BU of 6t6z by Molmil
Structure of the Bottromycin epimerase BotH in complex with a bottromycin A2 derivative
分子名称: BotH, Bottromycin A2 derivative
著者Koehnke, J, Sikandar, A.
登録日2019-10-20
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T6Y
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BU of 6t6y by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2
分子名称: BotH, Bottromycin A2
著者Koehnke, J, Sikandar, A.
登録日2019-10-20
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
6T70
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BU of 6t70 by Molmil
Structure of the Bottromycin epimerase BotH in complex with Bottromycin A2 derivative
分子名称: BotH, Bottromycin A2 derivative, CHLORIDE ION, ...
著者Koehnke, J, Sikandar, A.
登録日2019-10-20
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes.
Nat.Chem.Biol., 16, 2020
2BFN
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BU of 2bfn by Molmil
The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane.
分子名称: (2S)-2,3-DICHLOROPROPAN-1-OL, CALCIUM ION, CHLORIDE ION, ...
著者Banas, P, Otyepka, M, Jerabek, P, Vevodova, J, Bohac, M, Damborsky, J.
登録日2004-12-09
公開日2006-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed by X-Ray Crystallography and Microcalorimetry
Appl.Environ.Microbiol., 73, 2007
6TY7
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BU of 6ty7 by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ...
著者Markova, K, Chaloupkova, R, Damborsky, J, Marek, M.
登録日2020-01-15
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
2D0D
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BU of 2d0d by Molmil
Crystal Structure of a Meta-cleavage Product Hydrolase (CumD) A129V Mutant
分子名称: 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, CHLORIDE ION, PHOSPHATE ION
著者Jun, S.Y, Fushinobu, S, Nojiri, H, Omori, T, Shoun, H, Wakagi, T.
登録日2005-08-01
公開日2006-06-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Improving the catalytic efficiency of a meta-cleavage product hydrolase (CumD) from Pseudomonas fluorescens IP01
Biochim.Biophys.Acta, 1764, 2006
2CJP
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BU of 2cjp by Molmil
Structure of potato (Solanum tuberosum) epoxide hydrolase I (StEH1)
分子名称: 1,2-ETHANEDIOL, 2-PROPYLPENTANAMIDE, EPOXIDE HYDROLASE, ...
著者Mowbray, S.L, Elfstrom, L.T, Ahlgren, K.M, Andersson, C.E, Widersten, M.
登録日2006-04-05
公開日2006-06-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献X-Ray Structure of Potato Epoxide Hydrolase Sheds Light on Substrate Specificity in Plant Enzymes.
Protein Sci., 15, 2006

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