4X6Y
 
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3WK6
 | | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | | Descriptor: | (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | | Deposit date: | 2013-10-17 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 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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2WJ4
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5O2G
 | | Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Schulz, E.C, Kaub, J, Busse, F, Mehrabi, P, Mueller-Werkmeiser, H, Pai, E.F, Robertson, W.D, Miller, R.J.D. | | Deposit date: | 2017-05-20 | | Release date: | 2018-05-30 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure determination from picosecond infrared laser ablated protein crystals by serial synchrotron crystallography
To Be Published
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5AKH
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine, 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 (2.1 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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4H7H
 | | Crystal structure of haloalkane dehalogenase LinB T135A mutant from Sphingobium sp. MI1205 | | Descriptor: | CALCIUM ION, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Okai, M, Ohtsuka, J, Imai, L.F, Mase, T, Moriuchi, R, Tsuda, M, Nagata, K, Nagata, Y, Tanokura, M. | | Deposit date: | 2012-09-20 | | Release date: | 2013-06-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure and Site-Directed Mutagenesis Analyses of Haloalkane Dehalogenase LinB from Sphingobium sp. Strain MI1205.
J.Bacteriol., 195, 2013
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2WFL
 | | Crystal structure of polyneuridine aldehyde esterase | | Descriptor: | POLYNEURIDINE-ALDEHYDE ESTERASE, SULFATE ION | | Authors: | Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J. | | Deposit date: | 2009-04-08 | | Release date: | 2009-08-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids.
Angew.Chem.Int.Ed.Engl., 48, 2009
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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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1OIL
 | | STRUCTURE OF LIPASE | | Descriptor: | CALCIUM ION, LIPASE | | Authors: | Kim, K.K, Song, H.K, Shin, D.H, Suh, S.W. | | Deposit date: | 1996-12-06 | | Release date: | 1997-05-15 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of a triacylglycerol lipase from Pseudomonas cepacia reveals a highly open conformation in the absence of a bound inhibitor.
Structure, 5, 1997
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2WUD
 | | Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis | | Descriptor: | 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, THIOCYANATE ION | | Authors: | Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R, Sim, E, Eltis, L.D. | | Deposit date: | 2009-10-02 | | Release date: | 2009-10-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
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1BEZ
 | | HALOALKANE DEHALOGENASE MUTANT WITH TRP 175 REPLACED BY TYR AT PH 5 | | Descriptor: | ACETIC ACID, HALOALKANE DEHALOGENASE | | Authors: | Ridder, I.S, Vos, G.J, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W. | | Deposit date: | 1998-05-18 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site.
Biochemistry, 37, 1998
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2E3J
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3V48
 | | Crystal Structure of the putative alpha/beta hydrolase RutD from E.coli | | Descriptor: | GLYCEROL, Putative aminoacrylate hydrolase RutD, THIOCYANATE ION | | Authors: | Knapik, A.A, Petkowski, J.J, Otwinowski, Z, Cymborowski, M.T, Cooper, D.R, Chruszcz, M, Porebski, P.J, Niedzialkowska, E, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2011-12-14 | | Release date: | 2012-01-04 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A multi-faceted analysis of RutD reveals a novel family of alpha / beta hydrolases.
Proteins, 80, 2012
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1E89
 | | ON THE MECHANISM OF CYANOGENESIS CATALYZED BY HYDROXYNITRILE LYASE FROM MANIHOT ESCULENTA. CRYSTAL STRUCTURE OF ACTIVE SITE MUTANT SER80ALA IN COMPLEX WITH ACETONE CYANOHYDRIN | | Descriptor: | HYDROXYNITRILE LYASE | | Authors: | Lauble, H, Miehlich, B, Foerster, S, Wajant, H, Effenberger, F. | | Deposit date: | 2000-09-18 | | Release date: | 2001-08-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic Aspects of Cyanogenesis from Active-Site Mutant Ser80Ala of Hydroxynitrile Lyase from Manihot Esculenta in Complex with Acetone Cyanohydrin
Protein Sci., 10, 2001
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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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1EB9
 | | Structure Determinants of Substrate Specificity of Hydroxynitrile Lyase from Manihot esculenta | | Descriptor: | HYDROXYNITRILE LYASE, P-HYDROXYBENZALDEHYDE | | Authors: | Lauble, H, Miehlich, B, Foerster, S, Kobler, C, Wajant, H, Effenberger, F. | | Deposit date: | 2001-07-24 | | Release date: | 2002-01-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure Determinants of Substrate Specificity of Hydroxynitrile Lyase from Manihot Esculenta.
Protein Sci., 11, 2002
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1EB8
 | | Structure Determinants of Substrate Specificity of Hydroxynitrile Lyase from Manihot esculenta | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-ACETONE-CYANOHYDRIN LYASE | | Authors: | Lauble, H, Miehlich, B, Foerster, S, Kobler, C, Wajant, H, Effenberger, F. | | Deposit date: | 2001-07-24 | | Release date: | 2002-01-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure Determinants of Substrate Specificity of Hydroxynitrile Lyase from Manihot Esculenta.
Protein Sci., 11, 2002
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7CLZ
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7OKZ
 | | 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 HYPEROXIC 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: | 2021-05-18 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
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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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7D79
 | | The structure of DcsB complex with its substrate analogue | | 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 (2.10411429 Å) | | Cite: | A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
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3V1L
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3WK4
 | | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | | Descriptor: | 1-[(1R)-1-cyclopropylethyl]-3-phenylurea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | Authors: | Amano, Y, Yamaguchi, T, Tanabe, E. | | Deposit date: | 2013-10-17 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.11 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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2DHE
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2DHD
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