6QKT
 
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 24hr - Glycolate bound | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | | Deposit date: | 2019-01-30 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.512 Å) | | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
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6QHQ
 | | Time resolved structural analysis of the full turnover of an enzyme - 1128 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 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.735 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHW
 | | Time resolved structural analysis of the full turnover of an enzyme - 4512 ms | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHS
 | | Time resolved structural analysis of the full turnover of an enzyme - 564 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 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.733 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QI0
 | | Time resolved structural analysis of the full turnover of an enzyme - 9024 ms | | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.733 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHY
 | | Time resolved structural analysis of the full turnover of an enzyme - 100 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 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QI3
 | | Time resolved structural analysis of the full turnover of an enzyme - 27072 ms | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.739 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHV
 | | Time resolved structural analysis of the full turnover of an enzyme - 100 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 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.715 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QKS
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Apo | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | | Deposit date: | 2019-01-30 | | Release date: | 2019-06-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
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4X6X
 | | Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative | | Descriptor: | 3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid, Bifunctional epoxide hydrolase 2 | | Authors: | Chiyo, N, Takai, K, Ishii, T. | | Deposit date: | 2014-12-09 | | Release date: | 2015-04-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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4X00
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4X6Y
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4YK7
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4Y7D
 | | Alpha/beta hydrolase fold protein from Nakamurella multipartita | | Descriptor: | Alpha/beta hydrolase fold protein, CHLORIDE ION, SODIUM ION | | Authors: | Cuff, M.E, OSIPIUK, J, Holowicki, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-02-14 | | Release date: | 2015-02-25 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Alpha/beta hydrolase fold protein from Nakamurella multipartita.
to be published
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4YAS
 | | HYDROXYNITRILE LYASE COMPLEXED WITH CHLORALHYDRATE | | Descriptor: | PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION, TRI-CHLORO-ACETALDEHYDE | | 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 Å) | | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
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4Y9S
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3QIT
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1A7U
 | | CHLOROPEROXIDASE T | | Descriptor: | CHLOROPEROXIDASE T | | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J. | | Deposit date: | 1998-03-17 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
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3R3X
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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1BE0
 | | HALOALKANE DEHALOGENASE AT PH 5.0 CONTAINING ACETIC ACID | | Descriptor: | ACETATE ION, 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 (1.96 Å) | | Cite: | Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site.
Biochemistry, 37, 1998
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3QYJ
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1BRT
 | | BROMOPEROXIDASE A2 MUTANT M99T | | Descriptor: | BROMOPEROXIDASE A2, CHLORIDE ION | | Authors: | Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.H, Hecht, H.J. | | Deposit date: | 1998-03-30 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
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3R3U
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/apo | | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, NICKEL (II) ION | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-16 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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3R41
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo | | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | | Deposit date: | 2011-03-17 | | Release date: | 2011-05-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
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1BEE
 | | HALOALKANE DEHALOGENASE MUTANT WITH TRP 175 REPLACED BY TYR | | Descriptor: | HALOALKANE DEHALOGENASE | | Authors: | Ridder, I.S, Vos, G.J, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W. | | Deposit date: | 1998-05-13 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site.
Biochemistry, 37, 1998
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