6SP5
 
 | | 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
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6N5F
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 3 | | 分子名称: | Epoxide hydrolase TrEH, N-(8-amino-8-oxooctyl)nonanamide | | 著者 | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | 登録日 | 2018-11-21 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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6N5G
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2 | | 分子名称: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH | | 著者 | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | 登録日 | 2018-11-21 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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3I1I
 | | X-ray crystal structure of homoserine O-acetyltransferase from Bacillus anthracis | | 分子名称: | ACETATE ION, GLYCEROL, Homoserine O-acetyltransferase, ... | | 著者 | Osipiuk, J, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2009-06-26 | | 公開日 | 2009-07-07 | | 最終更新日 | 2017-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | X-ray crystal structure of homoserine O-acetyltransferase from Bacillus anthracis.
To be published
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6TY7
 | | 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
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3HSS
 | | A higher resolution structure of Rv0554 from Mycobacterium tuberculosis complexed with malonic acid | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Johnston, J.M, Baker, E.N. | | 登録日 | 2009-06-10 | | 公開日 | 2010-05-26 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
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2D0D
 | | 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
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6XY9
 | | Crystal structure of haloalkane dehalogenase DbeA-M1 loop variant from Bradyrhizobium elkanii | | 分子名称: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase | | 著者 | Prudnikova, T, Rezacova, P, Kuta Smatanova, I, Chaloupkova, R, Damborsky, J. | | 登録日 | 2020-01-29 | | 公開日 | 2020-07-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural and catalytic effects of surface loop-helix transplantation within haloalkane dehalogenase family.
Comput Struct Biotechnol J, 18, 2020
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7OJM
 | | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS | | 分子名称: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | | 著者 | Bui, S, Steiner, R.A. | | 登録日 | 2021-05-16 | | 公開日 | 2022-06-01 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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5K3E
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Glycolate - Cocrystallized | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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6XTC
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6XT8
 | | Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Markova, K, 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 (1.7 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
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7OTS
 | | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside | | 分子名称: | GLYCEROL, Monoacylglycerol lipase ABHD6, OLEIC ACID, ... | | 著者 | Nawrotek, A, Talagas, A, Vuillard, L, Miallau, L. | | 登録日 | 2021-06-10 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | | 主引用文献 | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside
To Be Published
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7OND
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2DHE
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7OO4
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5JZS
 | | HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid | | 分子名称: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD, 3,5-dichloro-4-hydroxybenzoic acid | | 著者 | Ryan, A, Polycarpou, E, Lack, N, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E.D, Ballet, R, Abuhammad, A, Ciulli, A, Sim, E. | | 登録日 | 2016-05-17 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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5K3B
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate - Cocrystallized | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase, chloroacetic acid | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5K3A
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Both Protomers Reacted with Ligand | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.511 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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5K3D
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5JZB
 | | Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | | 分子名称: | 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION | | 著者 | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | | 登録日 | 2016-05-16 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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5K3C
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/5-Fluorotryptophan | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.541 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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6YAS
 | | HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS, ROOM TEMPERATURE STRUCTURE | | 分子名称: | PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION | | 著者 | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | | 登録日 | 1999-03-15 | | 公開日 | 1999-10-13 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
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5JZ9
 | | Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid | | 分子名称: | 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase | | 著者 | Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E. | | 登録日 | 2016-05-16 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
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5K3F
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand | | 分子名称: | CHLORIDE ION, Fluoroacetate dehalogenase | | 著者 | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | | 登録日 | 2016-05-19 | | 公開日 | 2017-02-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
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