5YAS
 
 | | HYDROXYNITRILE LYASE COMPLEXED WITH HEXAFLUOROACETONE | | Descriptor: | 1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL, PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION | | Authors: | Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C. | | Deposit date: | 1999-03-15 | | Release date: | 1999-10-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
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2VAT
 | | Crystal structure of deacetylcephalosporin C acetyltransferase in complex with coenzyme A | | Descriptor: | ACETATE ION, ACETYL-COA--DEACETYLCEPHALOSPORIN C ACETYLTRANSFERASE, COENZYME A, ... | | Authors: | Lejon, S, Ellis, J, Valegard, K. | | Deposit date: | 2007-09-04 | | Release date: | 2008-09-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The Last Step in Cephalosporin C Formation Revealed: Crystal Structures of Deacetylcephalosporin C Acetyltransferase from Acremonium Chrysogenum in Complexes with Reaction Intermediates.
J.Mol.Biol., 377, 2008
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7JQZ
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7JQX
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3WKC
 | | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | | Descriptor: | 4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine, 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 (2.2 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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2WFM
 | | Crystal structure of polyneuridine aldehyde esterase mutant (H244A) | | Descriptor: | POLYNEURIDINE ALDEHYDE ESTERASE | | Authors: | Yang, L, Hill, M, Panjikar, S, Wang, M, Stoeckigt, J. | | Deposit date: | 2009-04-08 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 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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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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3WK7
 | | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | | Descriptor: | 2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole, 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 (2.2 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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4K2A
 | | Crystal structure of haloalkane dehalogenase DbeA from Bradyrhizobium elkani USDA94 | | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase | | Authors: | Prudnikova, T, Chaloupkova, R, Rezacova, P, Mozga, T, Koudelakova, T, Sato, Y, Kuty, M, Nagata, Y, Damborsky, J, Kuta Smatanova, I, Structure 2 Function Project (S2F) | | Deposit date: | 2013-04-08 | | Release date: | 2014-06-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional analysis of a novel haloalkane dehalogenase with two halide-binding sites.
Acta Crystallogr.,Sect.D, 70, 2014
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5ALW
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 5-[2-(4-methylphenyl)sulfanylethanoyl]-1,3-dihydroindol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | 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 (2.2 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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3WKB
 | | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | | Descriptor: | 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one, 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 (2.2 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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5ALL
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | DIMETHYL SULFOXIDE, SOLUBLE EPOXIDE HYDROLASE, SULFATE ION, ... | | 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 (2.2 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AM3
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 4-[(trans-4-{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl]amino}cyclohexyl)oxy]benzoic acid, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-09 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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1DWP
 | | Crystal Structure of Hydroxynitrile Lyase from Manihot esculenta at 2.2 Angstrom Resolution | | Descriptor: | ACETATE ION, HYDROXYNITRILE LYASE | | Authors: | Lauble, H, Wagner, U, Kratky, C, Mielich, B, Wajant, H, Forster, S, Effenberger, F. | | Deposit date: | 1999-12-10 | | Release date: | 2000-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Hydroxynitrile Lyase from Manihot Esculenta in Complex with Substrates Acetone and Chloroacetone: Implications for the Mechanism of Cyanogenesis
Acta Crystallogr.,Sect.D, 57, 2001
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8QVI
 | | Comparison of room-temperature and cryogenic structures of soluble Epoxide Hydrolase with ligands bound. | | Descriptor: | Bifunctional epoxide hydrolase 2, DI(HYDROXYETHYL)ETHER | | Authors: | Dunge, A, Uwangue, O, Phan, C, Bjelcic, M, Gunnarsson, J, Wehlander, G, Kack, H, Branden, G. | | Deposit date: | 2023-10-18 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring serial crystallography for drug discovery
To Be Published
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3WK8
 | | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | | Descriptor: | 6-(trifluoromethyl)-1,3-benzothiazol-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 (2.2 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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4GXN
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1DWO
 | | Crystal Structure of Hydroxynitrile Lyase from Manihot esculenta in Complex with Substrates Acetone and Chloroacetone:Implications for the Mechanism of Cyanogenesis | | Descriptor: | ACETONE, HYDROXYNITRILE LYASE | | Authors: | Lauble, H, Forster, S, Miehlich, B, Wajant, H, Effenberger, F. | | Deposit date: | 1999-12-10 | | Release date: | 2000-12-07 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Hydroxynitrile Lyase from Manihot Esculenta in Complex with Substrates Acetone and Chloroacetone: Implications for the Mechanism of Cyanogenesis
Acta Crystallogr.,Sect.D, 57, 2001
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1DWQ
 | | Crystal Structure of Hydroxynitrile Lyase from Manihot esculenta in Complex with Substrates Acetone and Chloroacetone:Implications for the Mechanism of Cyanogenesis | | Descriptor: | CHLOROACETONE, HYDROXYNITRILE LYASE | | Authors: | Lauble, H, Forster, S, Mielich, B, Wajant, H, Effenberger, F. | | Deposit date: | 1999-12-10 | | Release date: | 2000-12-07 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Hydroxynitrile Lyase from Manihot Esculenta in Complex with Substrates Acetone and Chloroacetone: Implications for the Mechanism of Cyanogenesis
Acta Crystallogr.,Sect.D, 57, 2001
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3WK9
 | | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | | Descriptor: | 5-(4-bromobenzyl)-1,3-thiazol-2-amine, 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 (2.2 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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2PL5
 | | Crystal Structure of Homoserine O-acetyltransferase from Leptospira interrogans | | Descriptor: | GLYCEROL, Homoserine O-acetyltransferase | | Authors: | Liu, L, Wang, M, Wang, Y, Wei, Z, Xu, H, Gong, W. | | Deposit date: | 2007-04-19 | | Release date: | 2007-11-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans
Biochem.Biophys.Res.Commun., 363, 2007
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1E8D
 | | MECHANISTIC ASPECTS OF CYANOGENESIS FROM ACTIVE SITE MUTANT SER80ALA OF HYDROXYNITRILE LYASE FROM MANIHOT ESCULENTA IN COMPLEX WITH ACETONE CYANOHYDRIN | | Descriptor: | 2-HYDROXY-2-METHYLPROPANENITRILE, HYDROXYNITRILE LYASE | | Authors: | Lauble, H, Miehlich, B, Foerster, S, Wajant, H, Effenberger, F. | | Deposit date: | 2000-09-19 | | Release date: | 2001-08-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 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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3U1T
 | | Haloalkane Dehalogenase, DmmA, of marine microbial origin | | Descriptor: | CHLORIDE ION, DmmA Haloalkane Dehalogenase, MALONATE ION | | Authors: | Gehret, J.J, Smith, J.L. | | Deposit date: | 2011-09-30 | | Release date: | 2011-12-28 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and activity of DmmA, a marine haloalkane dehalogenase.
Protein Sci., 21, 2012
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5AK5
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-03-02 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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4NVR
 | | 2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica | | Descriptor: | CALCIUM ION, CHLORIDE ION, Putative acyltransferase | | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Gordon, E, Stam, J, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-12-05 | | Release date: | 2013-12-18 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | 2.22 Angstrom Resolution Crystal Structure of a Putative Acyltransferase from Salmonella enterica.
TO BE PUBLISHED
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