8SDD
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![BU of 8sdd by Molmil](/molmil-images/mine/8sdd) | Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate | Descriptor: | Alpha/beta hydrolase fold protein | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | Deposit date: | 2023-04-06 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases. Febs J., 290, 2023
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3HI4
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![BU of 3hi4 by Molmil](/molmil-images/mine/3hi4) | |
6MUY
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![BU of 6muy by Molmil](/molmil-images/mine/6muy) | Fluoroacetate dehalogenase, room temperature structure solved by serial 3 degree oscillation crystallography | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-10-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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8SNI
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![BU of 8sni by Molmil](/molmil-images/mine/8sni) | Hydroxynitrile Lyase from Hevea brasiliensis with Forty Mutations | Descriptor: | (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, BENZOIC ACID, ... | Authors: | Walsh, M.E, Greenberg, L.R, Kazlauskas, R.J, Pierce, C.T, Aihara, H, Evans, R.L, Shi, K. | Deposit date: | 2023-04-27 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | To be published To Be Published
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3HEA
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![BU of 3hea by Molmil](/molmil-images/mine/3hea) | The L29P/L124I mutation of Pseudomonas fluorescens esterase | Descriptor: | Arylesterase, ETHYL ACETATE, GLYCEROL, ... | Authors: | Kazlauskas, R.J, Schrag, J.D, Cheeseman, J.D, Morley, K.L. | Deposit date: | 2009-05-08 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase. Biochemistry, 49, 2010
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6N00
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![BU of 6n00 by Molmil](/molmil-images/mine/6n00) | Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-11-06 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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8T87
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![BU of 8t87 by Molmil](/molmil-images/mine/8t87) | |
8T88
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![BU of 8t88 by Molmil](/molmil-images/mine/8t88) | |
3HYS
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![BU of 3hys by Molmil](/molmil-images/mine/3hys) | Structure of Rv0554 from Mycobacterium tuberculosis complexed with Malonic Acid | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MALONIC ACID, ... | Authors: | Johnston, J.M, Baker, E.N. | Deposit date: | 2009-06-23 | Release date: | 2010-06-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 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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6MZZ
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![BU of 6mzz by Molmil](/molmil-images/mine/6mzz) | Fluoroacetate dehalogenase, room temperature structure, using first 1 degree of total 3 degree oscillation | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-11-06 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6N3Z
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![BU of 6n3z by Molmil](/molmil-images/mine/6n3z) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 4 | Descriptor: | Epoxide hydrolase TrEH, N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.238 Å) | Cite: | 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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6N5H
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![BU of 6n5h by Molmil](/molmil-images/mine/6n5h) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 5 | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, Epoxide hydrolase TrEH | Authors: | Oliveira, G.S, Adriano, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-21 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.717 Å) | Cite: | 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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6SP8
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![BU of 6sp8 by Molmil](/molmil-images/mine/6sp8) | Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Chmelova, K, Markova, K, Damborsky, J, Marek, M. | Deposit date: | 2019-08-31 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst. Chem Sci, 11, 2020
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3IA2
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![BU of 3ia2 by Molmil](/molmil-images/mine/3ia2) | Pseudomonas fluorescens esterase complexed to the R-enantiomer of a sulfonate transition state analog | Descriptor: | (2R)-butane-2-sulfonate, Arylesterase, GLYCEROL, ... | Authors: | Schrag, J.D, Kazlauskas, R.J, Jiang, Y, Morley, K. | Deposit date: | 2009-07-13 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Different active-site loop orientation in serine hydrolases versus acyltransferases. Chembiochem, 12, 2011
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6T6X
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![BU of 6t6x by Molmil](/molmil-images/mine/6t6x) | Structure of the Bottromycin epimerase BotH in complex with substrate | Descriptor: | (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 | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2019-10-20 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes. Nat.Chem.Biol., 16, 2020
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6T6H
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![BU of 6t6h by Molmil](/molmil-images/mine/6t6h) | Apo structure of the Bottromycin epimerase BotH | Descriptor: | BotH, SODIUM ION, SULFATE ION | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2019-10-18 | Release date: | 2020-07-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | The bottromycin epimerase BotH defines a group of atypical alpha / beta-hydrolase-fold enzymes. Nat.Chem.Biol., 16, 2020
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6T6Z
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![BU of 6t6z by Molmil](/molmil-images/mine/6t6z) | |
6T6Y
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![BU of 6t6y by Molmil](/molmil-images/mine/6t6y) | |
6NY9
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![BU of 6ny9 by Molmil](/molmil-images/mine/6ny9) | Alpha/beta hydrolase domain-containing protein 10 from mouse | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Mycophenolic acid acyl-glucuronide esterase, mitochondrial, ... | Authors: | Cao, Y, Rice, P.A, Dickinson, B.C. | Deposit date: | 2019-02-11 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | ABHD10 is an S-depalmitoylase affecting redox homeostasis through peroxiredoxin-5. Nat.Chem.Biol., 15, 2019
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8QMZ
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![BU of 8qmz by Molmil](/molmil-images/mine/8qmz) | Soluble epoxide hydrolase in complex with RK4 | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenyl)sulfonyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-5-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-25 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes. Science, 383, 2024
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8QN0
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![BU of 8qn0 by Molmil](/molmil-images/mine/8qn0) | Soluble epoxide hydrolase in complex with RK3 | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-25 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes. Science, 383, 2024
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6MUH
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![BU of 6muh by Molmil](/molmil-images/mine/6muh) | Fluoroacetate dehalogenase, room temperature structure solved by serial 1 degree oscillation crystallography | Descriptor: | Fluoroacetate dehalogenase | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | Deposit date: | 2018-10-23 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6N3K
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![BU of 6n3k by Molmil](/molmil-images/mine/6n3k) | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1 | Descriptor: | Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea | Authors: | de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | Deposit date: | 2018-11-15 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | 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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6T70
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![BU of 6t70 by Molmil](/molmil-images/mine/6t70) | |
3HZO
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![BU of 3hzo by Molmil](/molmil-images/mine/3hzo) | |