4Y2U
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![BU of 4y2u by Molmil](/molmil-images/mine/4y2u) | Structure of soluble epoxide hydrolase in complex with tert-butyl 1,2,3,4-tetrahydroquinolin-3-ylcarbamate | Descriptor: | Bifunctional epoxide hydrolase 2, MAGNESIUM ION, tert-butyl (3R)-1,2,3,4-tetrahydroquinolin-3-ylcarbamate | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2015-02-10 | Release date: | 2015-05-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening Bioorg.Med.Chem., 23, 2015
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3WKE
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![BU of 3wke by Molmil](/molmil-images/mine/3wke) | Crystal structure of soluble epoxide hydrolase in complex with t-AUCB | 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, 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 (2.75 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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3WK5
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![BU of 3wk5 by Molmil](/molmil-images/mine/3wk5) | Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor | Descriptor: | 2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide, 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 (2.77 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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5ALQ
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![BU of 5alq by Molmil](/molmil-images/mine/5alq) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 1-(3-PHENYL-1H-PYRAZOL-5-YL)CYCLOPENTANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, 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 (2.78 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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3KOO
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![BU of 3koo by Molmil](/molmil-images/mine/3koo) | Crystal Structure of soluble epoxide Hydrolase | Descriptor: | Epoxide hydrolase 2, N-(2,4-dichlorobenzyl)-4-(pyrimidin-2-yloxy)piperidine-1-carboxamide | Authors: | Farrow, N.A. | Deposit date: | 2009-11-13 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.791 Å) | Cite: | Optimization of piperidyl-ureas as inhibitors of soluble epoxide hydrolase. Bioorg.Med.Chem.Lett., 20, 2010
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1XRN
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![BU of 1xrn by Molmil](/molmil-images/mine/1xrn) | Crystal structure of active site F1-mutant E213Q soaked with peptide Phe-Ala | Descriptor: | ALANINE, Proline iminopeptidase | Authors: | Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S. | Deposit date: | 2004-10-15 | Release date: | 2005-07-12 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum J.Biol.Chem., 280, 2005
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1CR6
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![BU of 1cr6 by Molmil](/molmil-images/mine/1cr6) | CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CPU INHIBITOR | Descriptor: | EPOXIDE HYDROLASE, N-CYCLOHEXYL-N'-(PROPYL)PHENYL UREA | Authors: | Argiriadi, M.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 1999-08-13 | Release date: | 1999-11-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase. Proc.Natl.Acad.Sci.USA, 96, 1999
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1IUN
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![BU of 1iun by Molmil](/molmil-images/mine/1iun) | meta-Cleavage product hydrolase from Pseudomonas fluorescens IP01 (CumD) S103A mutant hexagonal | Descriptor: | ACETATE ION, meta-Cleavage product hydrolase | Authors: | Fushinobu, S, Saku, T, Hidaka, M, Jun, S.-Y, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T. | Deposit date: | 2002-03-06 | Release date: | 2002-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structures of a meta-cleavage product hydrolase from Pseudomonas
fluorescens IP01 (CumD) complexed with cleavage products PROTEIN SCI., 11, 2002
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5E4Y
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![BU of 5e4y by Molmil](/molmil-images/mine/5e4y) | Orthorhombic structure of the acetyl esterase MekB | Descriptor: | Homoserine O-acetyltransferase | Authors: | Niefind, K, Toelzer, C, Pal, S, Watzlawick, H, Altenbuchner, J. | Deposit date: | 2015-10-07 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases. Febs Lett., 590, 2016
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1XRQ
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![BU of 1xrq by Molmil](/molmil-images/mine/1xrq) | Crystal structure of active site F1-mutant E245Q soaked with peptide Phe-Leu | Descriptor: | LEUCINE, Proline iminopeptidase | Authors: | Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S. | Deposit date: | 2004-10-15 | Release date: | 2005-07-12 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum J.Biol.Chem., 280, 2005
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5IE4
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![BU of 5ie4 by Molmil](/molmil-images/mine/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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1CQZ
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![BU of 1cqz by Molmil](/molmil-images/mine/1cqz) | CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE. | Descriptor: | EPOXIDE HYDROLASE | Authors: | Argiriadi, M.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | Deposit date: | 1999-08-12 | Release date: | 1999-11-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Detoxification of environmental mutagens and carcinogens: structure, mechanism, and evolution of liver epoxide hydrolase. Proc.Natl.Acad.Sci.USA, 96, 1999
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8HGW
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![BU of 8hgw by Molmil](/molmil-images/mine/8hgw) | Crystal structure of MehpH in complex with MBP | Descriptor: | 1-BUTANOL, Monoalkyl phthalate hydrolase, PHTHALIC ACID | Authors: | Zhang, Z.M, Wang, Y.J, Chen, Y.B. | Deposit date: | 2022-11-15 | Release date: | 2023-03-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.80001163 Å) | Cite: | Molecular insights into the catalytic mechanism of plasticizer degradation by a monoalkyl phthalate hydrolase. Commun Chem, 6, 2023
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3X3H
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![BU of 3x3h by Molmil](/molmil-images/mine/3x3h) | Crystal Structure of the Manihot esculenta Hydroxynitrile Lyase (MeHNL) 3KP (K176P, K199P, K224P) triple mutant | Descriptor: | (S)-hydroxynitrile lyase | Authors: | Cielo, C.B.C, Yamane, T, Asano, Y, Dadashipour, M, Suzuki, A, Mizushima, T, Komeda, H, Okazaki, S. | Deposit date: | 2015-01-21 | Release date: | 2016-03-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Crystallographic Studies of Manihot esculenta hydroxynitrile lyase Lysine-to-Proline mutants TO BE PUBLISHED
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8F2L
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![BU of 8f2l by Molmil](/molmil-images/mine/8f2l) | |
8A97
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![BU of 8a97 by Molmil](/molmil-images/mine/8a97) | ROOM TEMPERATURE CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) UNDER XENON PRESSURE (30 bar) | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, D(-)-TARTARIC ACID, XENON | Authors: | Bui, S, Prange, T, Steiner, R.A. | Deposit date: | 2022-06-27 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.897 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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1SCQ
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![BU of 1scq by Molmil](/molmil-images/mine/1scq) | K236L mutant of hydroxynitrile lyase from Hevea brasiliensis in complex with acetonecyanohydrin | Descriptor: | (S)-acetone-cyanohydrin lyase, 2-HYDROXY-2-METHYLPROPANENITRILE, SULFATE ION | Authors: | Gruber, K, Gartler, G, Krammer, B, Schwab, H, Kratky, C. | Deposit date: | 2004-02-12 | Release date: | 2004-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Reaction mechanism of hydroxynitrile lyases of the alpha/beta-hydrolase superfamily: the three-dimensional structure of the transient enzyme-substrate complex certifies the crucial role of LYS236 J.Biol.Chem., 279, 2004
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5LIP
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![BU of 5lip by Molmil](/molmil-images/mine/5lip) | PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-1,2-DIOCTYLCARBAMOYLGLYCERO-3-O-OCTYLPHOSPHONATE | Descriptor: | CALCIUM ION, OCTYL-PHOSPHINIC ACID 1,2-BIS-OCTYLCARBAMOYLOXY-ETHYL ESTER, TRIACYL-GLYCEROL HYDROLASE | Authors: | Lang, D.A, Dijkstra, B.W. | Deposit date: | 1997-09-02 | Release date: | 1998-08-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of the chiral selectivity of Pseudomonas cepacia lipase Eur.J.Biochem., 254, 1998
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4IO0
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![BU of 4io0 by Molmil](/molmil-images/mine/4io0) | Crystal structure of F128A mutant of an epoxide hydrolase from Bacillus megaterium complexed with its product (R)-3-[1]naphthyloxy-propane-1,2-diol | Descriptor: | (2R)-3-(naphthalen-1-yloxy)propane-1,2-diol, SULFATE ION, Soluble epoxide hydrolase | Authors: | Kong, X.D, Zhou, J.H, Xu, J.H. | Deposit date: | 2013-01-07 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates. Proc.Natl.Acad.Sci.USA, 111, 2014
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4J03
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![BU of 4j03 by Molmil](/molmil-images/mine/4j03) | Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant | Descriptor: | (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Morisseau, C, Pakhomova, S, Hwang, S.H, Newcomer, M.E, Hammock, B.D. | Deposit date: | 2013-01-30 | Release date: | 2013-06-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides. Bioorg.Med.Chem.Lett., 23, 2013
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4OD0
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![BU of 4od0 by Molmil](/molmil-images/mine/4od0) | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea | Descriptor: | 1-(1-propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morisseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | Deposit date: | 2014-01-09 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J.Med.Chem., 57, 2014
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4OCZ
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![BU of 4ocz by Molmil](/molmil-images/mine/4ocz) | Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea | Descriptor: | 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | Authors: | Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D. | Deposit date: | 2014-01-09 | Release date: | 2014-09-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. J.Med.Chem., 57, 2014
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6AUM
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![BU of 6aum by Molmil](/molmil-images/mine/6aum) | Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid. | Descriptor: | 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid, Bifunctional epoxide hydrolase 2, CHLORIDE ION, ... | Authors: | Kodani, S.D, Bahkta, S, Hwang, S.H, Pakhomova, S, Newcomer, M.E, Morisseau, C, Hammock, B. | Deposit date: | 2017-09-01 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase. Bioorg. Med. Chem. Lett., 28, 2018
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4UFP
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![BU of 4ufp by Molmil](/molmil-images/mine/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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8JLV
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![BU of 8jlv by Molmil](/molmil-images/mine/8jlv) | |