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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1EDB
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3WKA
| Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | Descriptor: | 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | Deposit date: | 2013-10-18 | Release date: | 2014-04-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg.Med.Chem., 22, 2014
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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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5Y2X
| Crystal structure of apo-HaloTag (M175C) | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase | Authors: | Lee, H, Kang, M, Rhee, H, Lee, C. | Deposit date: | 2017-07-27 | Release date: | 2017-09-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-guided synthesis of a protein-based fluorescent sensor for alkyl halides Chem. Commun. (Camb.), 53, 2017
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3T4U
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6COI
| AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.024 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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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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8E19
| Crystal structure of TnmK1 complexed with TNM H | Descriptor: | (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SUCCINIC ACID, ... | Authors: | Liu, Y.-C, Gui, C, Shen, B. | Deposit date: | 2022-08-10 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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5AKJ
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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1BRO
| BROMOPEROXIDASE A2 | Descriptor: | BROMOPEROXIDASE A2 | Authors: | Hecht, H.J, Sobek, H, Haag, T, Pfeifer, O, Van Pee, K.H. | Deposit date: | 1996-06-01 | Release date: | 1996-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The metal-ion-free oxidoreductase from Streptomyces aureofaciens has an alpha/beta hydrolase fold. Nat.Struct.Biol., 1, 1994
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4Y2P
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4ETW
| Structure of the Enzyme-ACP Substrate Gatekeeper Complex Required for Biotin Synthesis | Descriptor: | Acyl carrier protein, Pimelyl-[acyl-carrier protein] methyl ester esterase, methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate | Authors: | Agarwal, V, Nair, S.K. | Deposit date: | 2012-04-24 | Release date: | 2012-10-17 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the enzyme-acyl carrier protein (ACP) substrate gatekeeper complex required for biotin synthesis. Proc.Natl.Acad.Sci.USA, 109, 2012
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4C4Z
| Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8 | Descriptor: | 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | Authors: | Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C. | Deposit date: | 2013-09-09 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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5ALP
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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2PU7
| Crystal Structure of S112A/H265A double mutant of a C-C hydrolase, BphD, from Burkholderia xenovorans LB400 | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, SODIUM ION | Authors: | Bhowmik, S, Bolin, J.T. | Deposit date: | 2007-05-08 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The Tautomeric Half-reaction of BphD, a C-C Bond Hydrolase: KINETIC AND STRUCTURAL EVIDENCE SUPPORTING A KEY ROLE FOR HISTIDINE 265 OF THE CATALYTIC TRIAD. J.Biol.Chem., 282, 2007
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6JR5
| ZHD/H242A complex with bZOL | Descriptor: | (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, Zearalenone hydrolase | Authors: | Hu, X.J. | Deposit date: | 2019-04-02 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure of ZHD complex To Be Published
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2WJ3
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5AKX
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 5-iodanyl-1H-indazole, DIMETHYL SULFOXIDE, SOLUBLE EPOXIDE HYDROLASE, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-05 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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6JQZ
| ZHD/H242A complex with ZEN | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, GLYCEROL, Zearalenone hydrolase | Authors: | Hu, X.J. | Deposit date: | 2019-04-02 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of ZHD complex To Be Published
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7COG
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4X6Y
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5ALJ
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-08 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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1EHY
| X-ray structure of the epoxide hydrolase from agrobacterium radiobacter ad1 | Descriptor: | POTASSIUM ION, PROTEIN (SOLUBLE EPOXIDE HYDROLASE) | Authors: | Nardini, M, Ridder, I.S, Rozeboom, H.J, Kalk, K.H, Rink, R, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 1998-10-17 | Release date: | 1999-10-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The x-ray structure of epoxide hydrolase from Agrobacterium radiobacter AD1. An enzyme to detoxify harmful epoxides. J.Biol.Chem., 274, 1999
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7OO4
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