6QI1
 
 | | Time resolved structural analysis of the full turnover of an enzyme - 12312 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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2HAD
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1A88
 | | CHLOROPEROXIDASE L | | Descriptor: | CHLOROPEROXIDASE L | | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | | Deposit date: | 1998-04-03 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
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3HEA
 | | The L29P/L124I mutation of Pseudomonas fluorescens esterase | | Descriptor: | Arylesterase, ETHYL ACETATE, GLYCEROL, ... | | Authors: | Kazlauskas, R.J, Schrag, J.D, Cheeseman, J.D, Morley, K.L. | | Deposit date: | 2009-05-08 | | Release date: | 2010-03-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase.
Biochemistry, 49, 2010
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2OCI
 | | Crystal structure of valacyclovir hydrolase complexed with a product analogue | | Descriptor: | L-TYROSINAMIDE, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Lai, L, Xu, Z, Amidon, G.L. | | Deposit date: | 2006-12-20 | | Release date: | 2008-02-05 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
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2OCL
 | | Crystal structure of valacyclovir hydrolase S122A mutant | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, Valacyclovir hydrolase | | Authors: | Lai, L, Xu, Z, Amidon, G.L. | | Deposit date: | 2006-12-20 | | Release date: | 2008-02-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
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3HSS
 | | A higher resolution structure of Rv0554 from Mycobacterium tuberculosis complexed with malonic acid | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Johnston, J.M, Baker, E.N. | | Deposit date: | 2009-06-10 | | Release date: | 2010-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional analysis of Rv0554 from Mycobacterium tuberculosis: testing a putative role in menaquinone biosynthesis.
Acta Crystallogr.,Sect.D, 66, 2010
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1EDE
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2WUF
 | | Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with 4,9DSHA | | Descriptor: | (3E,5R)-8-[(1S,3AR,4R,7AS)-1-HYDROXY-7A-METHYL-5-OXOOCTAHYDRO-1H-INDEN-4-YL]-5-METHYL-2,6-DIOXOOCT-3-ENOATE, 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, ... | | 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 (1.9 Å) | | Cite: | Characterization of a carbon-carbon hydrolase from Mycobacterium tuberculosis involved in cholesterol metabolism.
J. Biol. Chem., 285, 2010
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3NWO
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6YN2
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2XUA
 | | Crystal structure of the enol-lactonase from Burkholderia xenovorans LB400 | | Descriptor: | 3-OXOADIPATE ENOL-LACTONASE, LAEVULINIC ACID | | Authors: | Bains, J, Kaufman, L, Farnell, B, Boulanger, M.J. | | Deposit date: | 2010-10-17 | | Release date: | 2011-01-26 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Product Analog Bound Form of 3-Oxoadipate-Enol- Lactonase (Pcad) Reveals a Multifunctional Role for the Divergent CAP Domain.
J.Mol.Biol., 406, 2011
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2XT0
 | | Dehalogenase DPpA from Plesiocystis pacifica SIR-I | | Descriptor: | HALOALKANE DEHALOGENASE, SULFATE ION | | Authors: | Bogdanovic, X, Palm, G.J, Hinrichs, W. | | Deposit date: | 2010-10-02 | | Release date: | 2011-08-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Cloning, Functional Expression, Biochemical Characterization, and Structural Analysis of a Haloalkane Dehalogenase from Plesiocystis Pacifica Sir-1.
Appl.Microbiol.Biotechnol., 91, 2011
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6PUX
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5AKK
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 6-bromo-1,3-dihydro-2H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION | | 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 (1.9 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5ALH
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 4-[[(2-methoxy-5-methyl-phenyl)sulfonylamino]methyl]-4-phenyl-N-(p-tolylmethyl)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 (1.9 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5H3H
 | | Esterase (EaEST) from Exiguobacterium antarcticum | | Descriptor: | Abhydrolase domain-containing protein, ETHANEPEROXOIC ACID | | Authors: | Lee, J.H, Lee, C.W. | | Deposit date: | 2016-10-24 | | Release date: | 2017-01-11 | | Last modified: | 2022-10-19 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure and Functional Characterization of an Esterase (EaEST) from Exiguobacterium antarcticum.
Plos One, 12, 2017
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5ALY
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 5-(7-fluoranyl-3,3-dimethyl-2-oxidanylidene-1H-indol-5-yl)-4-methyl-1H-pyrazole-3-carbonitrile, 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 (1.9 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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1YAS
 | | HYDROXYNITRILE LYASE COMPLEXED WITH HISTIDINE | | Descriptor: | HISTIDINE, HYDROXYNITRILE LYASE, SULFATE ION | | Authors: | Wagner, U.G, Kratky, C. | | Deposit date: | 1996-05-15 | | Release date: | 1997-06-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mechanism of cyanogenesis: the crystal structure of hydroxynitrile lyase from Hevea brasiliensis.
Structure, 4, 1996
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3WWP
 | | S-selective hydroxynitrile lyase from Baliospermum montanum (apo2) | | Descriptor: | (S)-hydroxynitrile lyase, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Nakano, S, Dadashipour, M, Asano, Y. | | Deposit date: | 2014-06-23 | | Release date: | 2014-10-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and functional analysis of hydroxynitrile lyase from Baliospermum montanum with crystal structure, molecular dynamics and enzyme kinetics
Biochim.Biophys.Acta, 1844, 2014
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6N00
 | | Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose | | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-11-06 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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5YB5
 | | The complex crystal structure of VrEH2 mutant M263N with SNO | | Descriptor: | (S)-PARA-NITROSTYRENE OXIDE, Epoxide hydrolase | | Authors: | Li, F.L, Chen, F.F, Chen, Q, Kong, X.D, Yu, H.L, Xu, J.H. | | Deposit date: | 2017-09-03 | | Release date: | 2018-09-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
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5UXZ
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3V1M
 | | Crystal Structure of the S112A/H265Q mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, after exposure to its substrate HOPDA | | Descriptor: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION | | Authors: | Ghosh, S, Bolin, J.T. | | Deposit date: | 2011-12-09 | | Release date: | 2012-03-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Identification of an Acyl-Enzyme Intermediate in a meta-Cleavage Product Hydrolase Reveals the Versatility of the Catalytic Triad.
J.Am.Chem.Soc., 134, 2012
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5AI4
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-02-12 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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