6S06
| Crystal structure of haloalkane dehalogenase LinB D147C+L177C mutant (LinB73) from Sphingobium japonicum UT26 | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION | Authors: | Iermak, I, Mesters, J.R, Degtjarik, O, Chaloupkova, R, Kuta Smatanova, I. | Deposit date: | 2019-06-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Description of Transport Tunnel in Haloalkane Dehalogenase Variant LinB D147C+L177C from Sphingobium japonicum Catalysts, 2021
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3BDI
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6COH
| AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde, MANDELIC ACID NITRILE | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, Alpha-hydroxynitrile lyase, GLYCEROL, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.367 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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6COC
| AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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6COF
| AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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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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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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4CFS
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE | Descriptor: | 1-H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE, D(-)-TARTARIC ACID, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2014-04-02 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Origin of the Proton-Transfer Step in the Cofactor-Free 1-H-3-Hydroxy-4-Oxoquinaldine 2,4- Dioxygenase: Effect of the Basicity of an Active Site His Residue. J.Biol.Chem., 289, 2014
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6COD
| AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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6SP5
| Structure of hyperstable haloalkane dehalogenase variant DhaA115 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Chmelova, K, Markova, K, Damborsky, J, Marek, M. | Deposit date: | 2019-08-30 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst. Chem Sci, 11, 2020
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6COE
| AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde, MANDELIC ACID NITRILE | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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6COB
| AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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6COI
| AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE | Descriptor: | (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.024 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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6COG
| AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde | Descriptor: | Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ... | Authors: | Jones, B.J, Kazlauskas, R.J, Desrouleaux, R. | Deposit date: | 2018-03-12 | Release date: | 2019-03-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | AtHNL enantioselectivity mutants To be published
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6SP8
| Structure of hyperstable haloalkane dehalogenase variant DhaA115 prepared by the 'soak-and-freeze' method under 150 bar of krypton pressure | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Chmelova, K, Markova, K, Damborsky, J, Marek, M. | Deposit date: | 2019-08-31 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Decoding the intricate network of molecular interactions of a hyperstable engineered biocatalyst. Chem Sci, 11, 2020
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4BRZ
| Haloalkane dehalogenase | Descriptor: | CHLORIDE ION, HALOALKANE DEHALOGENASE | Authors: | Novak, H.R, Sayer, C, Isupov, M, Gotz, D, Spragg, A.M, Littlechild, J.A. | Deposit date: | 2013-06-06 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Biochemical and Structural Characterisation of a Haloalkane Dehalogenase from a Marine Rhodobacteraceae. FEBS Lett., 588, 2014
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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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3B12
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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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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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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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6CL4
| LipC12 - Lipase from metagenomics | Descriptor: | Lipase C12 | Authors: | Iulek, J, Martini, V.P, Krieger, N, Glogauer, A, Souza, E.M. | Deposit date: | 2018-03-01 | Release date: | 2019-03-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structure solution and analyses of the first true lipase obtained from metagenomics indicate potential for increased thermostability. N Biotechnol, 53, 2019
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