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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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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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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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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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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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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6RB3
| Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC variant in complex with its substrate | Descriptor: | 2-heptylquinoline-3,4-diol, Putative dioxygenase (1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase) | Authors: | Wullich, S, Kobus, S, Smits, S.H, Fetzner, S. | Deposit date: | 2019-04-09 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC, a mycobacterial dioxygenase of the alpha / beta-hydrolase fold family. J.Struct.Biol., 207, 2019
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6RA2
| Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqDC | Descriptor: | Putative dioxygenase (1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase) | Authors: | Wullich, S, Kobus, S, Smits, S.H, Fetzner, S. | Deposit date: | 2019-04-05 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for recognition and ring-cleavage of the Pseudomonas quinolone signal (PQS) by AqdC, a mycobacterial dioxygenase of the alpha / beta-hydrolase fold family. J.Struct.Biol., 207, 2019
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6S42
| The double mutant(Ile44Leu+Gln102His) of haloalkane dehalogenase DbeA from Bradyrhizobium elkanii USDA94 with an eliminated halide-binding site | Descriptor: | CHLORIDE ION, HEXANE-1,6-DIOL, Haloalkane dehalogenase, ... | Authors: | Pudnikova, T, Mesters, J.R, Kuta Smatanova, I. | Deposit date: | 2019-06-26 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallization and Crystallographic Analysis of a Bradyrhizobium Elkanii USDA94 Haloalkane Dehalogenase Variant with an Eliminated Halide-Binding Site Crystals, 2019
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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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7ZJT
| Crystal structure of HsaD from Mycobacterium tuberculosis at 1.96 A resolution | Descriptor: | 1,2-ETHANEDIOL, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, CHLORIDE ION | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | Deposit date: | 2022-04-11 | Release date: | 2022-09-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis. Febs J., 290, 2023
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7ZM2
| Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC8b | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]pentadecyl]phosphinic 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 (2.2 Å) | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis. Febs J., 290, 2023
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8A97
| ROOM TEMPERATURE CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) UNDER XENON PRESSURE (30 bar) | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, D(-)-TARTARIC ACID, XENON | Authors: | Bui, S, Prange, T, Steiner, R.A. | Deposit date: | 2022-06-27 | Release date: | 2023-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.897 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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8AGS
| Cyclohexane epoxide soak of epoxide hydrolase from metagenomic source ch65 resulting in halogenated compound in the active site | Descriptor: | 1,2-ETHANEDIOL, 2-CHLOROPHENOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGN
| Cyclohexane epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | Descriptor: | (1R,6S)-7-oxabicyclo[4.1.0]heptane, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.957 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGM
| Limonene epoxide low pH soak of epoxide hydrolase from metagenomic source ch65 | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, CHLORIDE ION, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.966 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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8AGP
| Halogenated product of limonene epoxide turnover by epoxide hydrolase from metagenomic source ch65 | Descriptor: | (1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol, 1,2-ETHANEDIOL, Alpha/beta epoxide hydrolase, ... | Authors: | Isupov, M.N, De Rose, S.A, Mitchell, D, Littlechild, J.A. | Deposit date: | 2022-07-20 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Complexes of epoxide hydrolase from metagenomic source ch65 To Be Published
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7ZIZ
| X-ray structure of the dead variant haloalkane dehalogenase HaloTag7-D106A bound to a pentanol tetramethylrhodamine ligand (TMR-Hy5) | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J. | Deposit date: | 2022-04-08 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy. J.Am.Chem.Soc., 145, 2023
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