6GXL
| The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM2 | Descriptor: | Fluoroacetate dehalogenase | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | Deposit date: | 2018-06-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nat. Methods, 15, 2018
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8PI1
| Bicyclic INCYPRO Pseudomonas fluorescens esterase | Descriptor: | Arylesterase, GLYCEROL, N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide | Authors: | Kiehstaller, S, Pearce, N.M, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-06-20 | Release date: | 2023-11-01 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Covalent bicyclization of protein complexes yields durable quaternary structures. Chem, 10, 2024
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8OXN
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXYC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2023-05-02 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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8ORO
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) S101A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER HYPEROXYC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2023-04-15 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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8OXT
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) H251A VARIANT COMPLEXED WITH N-ACETYLANTHRANILATE AS RESULT OF IN CRYSTALLO TURNOVER OF ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE UNDER HYPEROXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2023-05-02 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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8OE2
| Structure of hyperstable haloalkane dehalogenase variant DhaA223 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Marek, M. | Deposit date: | 2023-03-10 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning. Acs Catalysis, 13, 2023
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5IE4
| Crystal structure of a lactonase mutant in complex with substrate a | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase | Authors: | Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2016-02-25 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016
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6FR2
| Soluble epoxide hydrolase in complex with LK864 | Descriptor: | 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | Authors: | Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E. | Deposit date: | 2018-02-15 | Release date: | 2018-09-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.262 Å) | Cite: | Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase. Bioorg. Chem., 80, 2018
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6GXF
| The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM1 | Descriptor: | Fluoroacetate dehalogenase | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | Deposit date: | 2018-06-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nat. Methods, 15, 2018
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7COF
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7CLZ
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3E3A
| The Structure of Rv0554 from Mycobacterium tuberculosis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, POSSIBLE PEROXIDASE BPOC | Authors: | Johnston, J.M, Baker, E.N. | Deposit date: | 2008-08-06 | Release date: | 2009-06-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 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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7C4D
| Marine microorganism esterase | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Putative esterase, ... | Authors: | Zhu, C.H, Wu, Y.K, Isupov, M.N. | Deposit date: | 2020-05-16 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural Insights into a Novel Esterase from the East Pacific Rise and Its Improved Thermostability by a Semirational Design. J.Agric.Food Chem., 69, 2021
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7CG2
| Vigna radiata Epoxide hydrolase mutant | Descriptor: | Epoxide hydrolase | Authors: | Li, F.L, Yu, H.L, Xu, J.H. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds Adv.Synth.Catal., 362, 2021
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7CG6
| Vigna radiata Epoxide hydrolase mutant M263Q | Descriptor: | Epoxide hydrolase | Authors: | Li, F.L, Yu, H.L, Xu, J.H. | Deposit date: | 2020-06-30 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds Adv.Synth.Catal., 362, 2021
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5UGQ
| Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | 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. | Deposit date: | 2017-01-09 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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5UOH
| Crystal Structure of Hip1 (Rv2224c) T466A mutant | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Baikovitz, J, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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5UXZ
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5UNO
| Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | 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. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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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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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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3FBW
| Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant C176Y | Descriptor: | BENZOIC ACID, CHLORIDE ION, Haloalkane dehalogenase, ... | Authors: | Dohnalek, J, Stsiapanava, A, Gavira, J.A, Kuta Smatanova, I, Kuty, M. | Deposit date: | 2008-11-20 | Release date: | 2009-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Atomic resolution studies of haloalkane dehalogenases DhaA04, DhaA14 and DhaA15 with engineered access tunnels. Acta Crystallogr.,Sect.D, 66, 2010
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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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4UFP
| Laboratory evolved variant R-C1B1D33 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 (2.95 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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