3C6Y
 
 | | HNL from Hevea brasiliensis to atomic resolution | | Descriptor: | ACETONE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schmidt, A. | | Deposit date: | 2008-02-06 | | Release date: | 2008-06-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
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1UK7
 | | Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with n-butyrate | | Descriptor: | 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, butanoic acid | | Authors: | Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T. | | Deposit date: | 2003-08-19 | | Release date: | 2004-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
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1UKA
 | | Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with (S)-2-methylbutyrate | | Descriptor: | 2-METHYLBUTANOIC ACID, 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase | | Authors: | Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T. | | Deposit date: | 2003-08-19 | | Release date: | 2004-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
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1UKB
 | | Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with benzoate | | Descriptor: | 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, BENZOIC ACID | | Authors: | Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T. | | Deposit date: | 2003-08-19 | | Release date: | 2004-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
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1UK9
 | | Crystal structure of a meta-cleavage product hydrolase (CumD) complexed with isovalerate | | Descriptor: | 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, ISOVALERIC ACID | | Authors: | Fushinobu, S, Jun, S.-Y, Hidaka, M, Nojiri, H, Yamane, H, Shoun, H, Omori, T, Wakagi, T. | | Deposit date: | 2003-08-19 | | Release date: | 2004-09-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A Series of Crystal Structures of a meta-Cleavage Product Hydrolase from Pseudomonas fluorescens IP01 (CumD) Complexed with Various Cleavage Products
BIOSCI.BIOTECHNOL.BIOCHEM., 69, 2005
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3C6X
 | | HNL from Hevea brasiliensis to atomic resolution | | Descriptor: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, Hydroxynitrilase, ... | | Authors: | Schmidt, A. | | Deposit date: | 2008-02-06 | | Release date: | 2008-06-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
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3B12
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1U2E
 | | Crystal Structure of the C-C bond hydrolase MhpC | | Descriptor: | 2-hydroxy-6-ketonona-2,4-dienedioic acid hydrolase, CHLORIDE ION | | Authors: | Montgomery, M.G, Dunn, G, Mohammed, F, Robertson, T, Garcia, J.-L, Coker, A, Bugg, T.D.H, Wood, S.P. | | Deposit date: | 2004-07-19 | | Release date: | 2005-02-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Structure of the C-C Bond Hydrolase MhpC Provides Insights into its Catalytic Mechanism
J.Mol.Biol., 346, 2005
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2ZJF
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1VA4
 | | Pseudomonas fluorescens aryl esterase | | Descriptor: | Arylesterase, GLYCEROL | | Authors: | Cheeseman, J.D, Tocilj, A, Park, S, Schrag, J.D, Kazlauskas, R.J. | | Deposit date: | 2004-02-11 | | Release date: | 2004-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Structure of an aryl esterase from Pseudomonas fluorescens.
Acta Crystallogr.,Sect.D, 60, 2004
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3C70
 | | HNL from Hevea brasiliensis to atomic resolution | | Descriptor: | Hydroxynitrilase, SULFATE ION, THIOCYANATE ION | | Authors: | Schmidt, A. | | Deposit date: | 2008-02-06 | | Release date: | 2008-06-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
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3ANT
 | | Human soluble epoxide hydrolase in complex with a synthetic inhibitor | | Descriptor: | 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Epoxide hydrolase 2 | | Authors: | Chiyo, N, Ishii, T, Hourai, S, Yanagi, K. | | Deposit date: | 2010-09-08 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
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3ANS
 | | Human soluble epoxide hydrolase in complex with a synthetic inhibitor | | Descriptor: | 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide, Epoxide hydrolase 2 | | Authors: | Chiyo, N, Ishii, T, Hourai, S, Yanagi, K. | | Deposit date: | 2010-09-08 | | Release date: | 2011-01-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
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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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1SCK
 | | K236L mutant of hydroxynitrile lyase from Hevea brasiliensis in complex with acetone | | Descriptor: | (S)-acetone-cyanohydrin lyase, ACETONE, 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 (1.7 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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3C6Z
 | | HNL from Hevea brasiliensis to atomic resolution | | Descriptor: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, Hydroxynitrilase, ... | | Authors: | Schmidt, A. | | Deposit date: | 2008-02-06 | | Release date: | 2008-06-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Atomic resolution crystal structures and quantum chemistry meet to reveal subtleties of hydroxynitrile lyase catalysis
J.Biol.Chem., 283, 2008
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1TAH
 | | THE CRYSTAL STRUCTURE OF TRIACYLGLYCEROL LIPASE FROM PSEUDOMONAS GLUMAE REVEALS A PARTIALLY REDUNDANT CATALYTIC ASPARTATE | | Descriptor: | CALCIUM ION, LIPASE | | Authors: | Noble, M.E.M, Cleasby, A, Johnson, L.N, Egmond, M, Frenken, L.G.J. | | Deposit date: | 1993-12-21 | | Release date: | 1994-05-31 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The crystal structure of triacylglycerol lipase from Pseudomonas glumae reveals a partially redundant catalytic aspartate.
FEBS Lett., 331, 1993
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6QHZ
 | | Time resolved structural analysis of the full turnover of an enzyme - 6788 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 (1.799 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHT
 | | Time resolved structural analysis of the full turnover of an enzyme - 376 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 (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QI2
 | | Time resolved structural analysis of the full turnover of an enzyme - 13536 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 (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QKW
 | | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr | | Descriptor: | CHLORIDE ION, 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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6QHP
 | | Time resolved structural analysis of the full turnover of an enzyme - 2256 ms covalent intermediate 1 | | 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 (1.8 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHX
 | | Time resolved structural analysis of the full turnover of an enzyme - 6156 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: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QHU
 | | 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 (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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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 | | Last modified: | 2024-05-15 | | 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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