7D78
| The structure of thioesterase DcsB | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ... | Authors: | Tang, Y, Zhou, J.H, Wang, G.Q. | Deposit date: | 2020-10-03 | Release date: | 2021-01-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.96543121 Å) | Cite: | A Polyketide Cyclase That Forms Medium-Ring Lactones. J.Am.Chem.Soc., 143, 2021
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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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4UHE
| Structural studies of a thermophilic esterase from Thermogutta terrifontis (malate bound) | Descriptor: | CHLORIDE ION, D-MALATE, ESTERASE, ... | Authors: | Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A. | Deposit date: | 2015-03-24 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis. FEBS J., 282, 2015
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4UHB
| Laboratory evolved variant R-C1 of potato epoxide hydrolase StEH1 | Descriptor: | 1,2-ETHANEDIOL, EPOXIDE HYDROLASE, GLYCEROL | Authors: | Nilsson, M.T.I, Carlsson, A.J, Dobritzsch, D, Widersten, M. | Deposit date: | 2015-03-23 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis. Chembiochem, 17, 2016
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4UHF
| Structural studies of a thermophilic esterase from Thermogutta terrifontis (L37A mutant with butyrate bound) | Descriptor: | CACODYLIC ACID, ESTERASE, TRIETHYLENE GLYCOL, ... | Authors: | Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A. | Deposit date: | 2015-03-24 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis. FEBS J., 282, 2015
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4UHD
| Structural studies of a thermophilic esterase from Thermogutta terrifontis (acetate bound) | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A. | Deposit date: | 2015-03-24 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis. FEBS J., 282, 2015
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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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8SBQ
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4UFN
| Laboratory evolved variant R-C1B1 of potato epoxide hydrolase StEH1 | Descriptor: | 1,4-DIETHYLENE DIOXIDE, EPOXIDE HYDROLASE | Authors: | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | Deposit date: | 2015-03-17 | Release date: | 2016-04-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational Diversity and Enantioconvergence in Potato Epoxide Hydrolase 1. Org.Biomol.Chem., 14, 2016
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4UFO
| Laboratory evolved variant R-C1B1D33E6 of potato epoxide hydrolase StEH1 | Descriptor: | EPOXIDE HYDROLASE | Authors: | Carlsson, A.J, Bauer, P, Nilsson, M, Dobritzsch, D, Kamerlin, S.C.L, Widersten, M. | Deposit date: | 2015-03-17 | Release date: | 2016-04-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Laboratory Evolved Enzymes Provide Snapshots of the Development of Enantioconvergence in Enzyme-Catalyzed Epoxide Hydrolysis. Chembiochem, 17, 2016
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4UHC
| Structural studies of a thermophilic esterase from Thermogutta terrifontis (Native) | Descriptor: | CHLORIDE ION, ESTERASE | Authors: | Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A. | Deposit date: | 2015-03-24 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis. FEBS J., 282, 2015
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8SW8
| Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand | Descriptor: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Farrants, H, Schreiter, E.R. | Deposit date: | 2023-05-17 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging To Be Published
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6V7N
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6SP5
| Structure of hyperstable haloalkane dehalogenase variant DhaA115 | 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: | 2019-08-30 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst. Chem Sci, 11, 2020
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7EBA
| Co-crystal of kurarinone with sEH | Descriptor: | (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one, Bifunctional epoxide hydrolase 2 | Authors: | Sun, C.P, Ma, X.C. | Deposit date: | 2021-03-09 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kurarinone alleviated Parkinson's disease via stabilization of epoxyeicosatrienoic acids in animal model. Proc.Natl.Acad.Sci.USA, 119, 2022
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5C8X
| ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 20min | Descriptor: | (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, GLYCEROL, POTASSIUM ION, ... | Authors: | Hu, X.-J, Qi, Q, Yang, W.-J. | Deposit date: | 2015-06-26 | Release date: | 2016-06-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Case Study of Lactonase ZHD To Be Published
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5C8Z
| ZHD-ZGR complex after ZHD crystal soaking in ZEN for 30min | Descriptor: | 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid, FORMIC ACID, GLYCEROL, ... | Authors: | Hu, X.-J, Qi, Q, Yang, W.-J. | Deposit date: | 2015-06-26 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure of a complex of the lactonohydrolase zearalenone hydrolase with the hydrolysis product of zearalenone at 1.60 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5K3B
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate - Cocrystallized | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, chloroacetic acid | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-05-19 | Release date: | 2017-02-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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5JZS
| HsaD bound to 3,5-dichloro-4-hydroxybenzoic acid | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD, 3,5-dichloro-4-hydroxybenzoic acid | Authors: | 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. | Deposit date: | 2016-05-17 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | 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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5C7Y
| ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 9min | Descriptor: | (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one, FORMIC ACID, GLYCEROL, ... | Authors: | Hu, X.-J, Qi, Q, Yang, W.-J. | Deposit date: | 2015-06-25 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Case Study of Lactonase ZHD To Be Published
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5K3D
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5JZB
| Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2016-05-16 | Release date: | 2017-04-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | 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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2D0D
| Crystal Structure of a Meta-cleavage Product Hydrolase (CumD) A129V Mutant | Descriptor: | 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, CHLORIDE ION, PHOSPHATE ION | Authors: | Jun, S.Y, Fushinobu, S, Nojiri, H, Omori, T, Shoun, H, Wakagi, T. | Deposit date: | 2005-08-01 | Release date: | 2006-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Improving the catalytic efficiency of a meta-cleavage product hydrolase (CumD) from Pseudomonas fluorescens IP01 Biochim.Biophys.Acta, 1764, 2006
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5K3C
| Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/5-Fluorotryptophan | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F. | Deposit date: | 2016-05-19 | Release date: | 2017-02-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.541 Å) | Cite: | The role of dimer asymmetry and protomer dynamics in enzyme catalysis. Science, 355, 2017
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1A8S
| CHLOROPEROXIDASE F/PROPIONATE COMPLEX | Descriptor: | CHLOROPEROXIDASE F, PROPANOIC ACID, SULFATE ION | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | Deposit date: | 1998-03-27 | Release date: | 1998-06-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural investigation of the cofactor-free chloroperoxidases. J.Mol.Biol., 279, 1998
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