2DHD
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7SFM
| Mycobacterium tuberculosis Hip1 crystal structure | Descriptor: | ACETATE ION, GLYCEROL, Hip1 | Authors: | Ostrov, D.A, Li, D. | Deposit date: | 2021-10-04 | Release date: | 2022-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | 2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1). Biochem.Biophys.Res.Commun., 630, 2022
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4Y2J
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7JQY
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7ZM1
| Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC7b | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | Deposit date: | 2022-04-19 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis. Febs J., 290, 2023
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8E5W
| Crystal structure of dehydroalanine Hip1 | Descriptor: | DI(HYDROXYETHYL)ETHER, PALMITIC ACID, Protease, ... | Authors: | Goldfarb, N.E, Brooks, C.L, Ostrov, D.A. | Deposit date: | 2022-08-22 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 2.1 angstrom crystal structure of the Mycobacterium tuberculosis serine hydrolase, Hip1, in its anhydro-form (Anhydrohip1). Biochem.Biophys.Res.Commun., 630, 2022
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4NS4
| Crystal structure of cold-active estarase from Psychrobacter cryohalolentis K5T | Descriptor: | Alpha/beta hydrolase fold protein | Authors: | Boyko, K.M, Petrovskaya, L.E, Gorbacheva, M.A, Korgenevsky, D.A, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Lipkin, A.V, Popov, V.O. | Deposit date: | 2013-11-28 | Release date: | 2015-01-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Three-dimentional structure of an esterse from Psychrobacter cryohalolentis K5T provides clues to unusual thermostability of a cold-active enzyme To be Published
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5AK6
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | 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 (2.15 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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7P4K
| Soluble epoxide hydrolase in complex with FL217 | Descriptor: | Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | Authors: | Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-11 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors. J.Med.Chem., 64, 2021
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5AM1
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 4-oxidanylidene-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3H-chromene-2,4'-piperidine]-1'-carboxamide, 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 (2.15 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5ALT
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | 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 (2.15 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5Z5J
| Crystal structure of a lactonase double mutant | Descriptor: | DI(HYDROXYETHYL)ETHER, Lactonase for protein | Authors: | Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2018-01-18 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity Acs Catalysis, 8, 2018
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8IK2
| RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis | Descriptor: | (3~{S})-3-oxidanyldecanoic acid, 3-(3-hydroxydecanoyloxy)decanoate synthase | Authors: | Tang, T, Fu, L.H, Xie, W.H, Luo, Y.Z, Zhang, Y.T, Si, T. | Deposit date: | 2023-02-28 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | RhlA Exhibits Dual Thioesterase and Acyltransferase Activities during Rhamnolipid Biosynthesis Acs Catalysis, 13, 2023
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6HGX
| Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)morpholin-2-yl)methoxy)phenyl)-3-cyclohexylurea | Descriptor: | 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | Deposit date: | 2018-08-23 | Release date: | 2019-07-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Computer-Aided Selective Optimization of Side Activities of Talinolol. Acs Med.Chem.Lett., 10, 2019
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4C4X
| Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9 | Descriptor: | 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, 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: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 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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7AC0
| Epoxide hydrolase CorEH without ligand | Descriptor: | Soluble epoxide hydrolase | Authors: | Palm, G.J, Lammers, M, Berndt, L. | Deposit date: | 2020-09-09 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.177 Å) | Cite: | Promiscuous Dehalogenase Activity of the Epoxide Hydrolase CorEH from Corynebacterium sp. C12 Acs Catalysis, 11, 2021
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5AKY
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 3-(2-phenylethyl)-1H-indazole, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | 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 (2.18 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AKZ
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 1-CYCLOHEXYL-3-METHYL-UREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ... | 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 (2.18 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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1SCI
| K236L mutant of hydroxynitrile lyase from Hevea brasiliensis | Descriptor: | (S)-acetone-cyanohydrin lyase, 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 (2.18 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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1EDD
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2EDA
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3GZJ
| Crystal Structure of Polyneuridine Aldehyde Esterase Complexed with 16-epi-Vellosimine | Descriptor: | 16-epi-Vellosimine, Polyneuridine-aldehyde esterase | Authors: | Yang, L, Hill, M, Wang, M, Panjikar, S, Stoeckigt, J. | Deposit date: | 2009-04-07 | Release date: | 2009-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 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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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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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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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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