8SBQ
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8T87
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8T88
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8SW8
| Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand | Descriptor: | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Farrants, H, Schreiter, E.R. | Deposit date: | 2023-05-17 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A modular chemigenetic calcium indicator for multiplexed in vivo functional imaging To Be Published
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8TFW
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8SDD
| Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate | Descriptor: | Alpha/beta hydrolase fold protein | Authors: | Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A. | Deposit date: | 2023-04-06 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases. Febs J., 290, 2023
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6JD9
| Proteus mirabilis lipase mutant - I118V/E130G | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase, CALCIUM ION | Authors: | Heater, B.S, Chan, W.S, Chan, M.K. | Deposit date: | 2019-01-31 | Release date: | 2019-07-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Directed evolution of a genetically encoded immobilized lipase for the efficient production of biodiesel from waste cooking oil. Biotechnol Biofuels, 12, 2019
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2QVB
| Crystal Structure of Haloalkane Dehalogenase Rv2579 from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Haloalkane dehalogenase 3 | Authors: | Mazumdar, P.A, Hulecki, J, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2007-08-08 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | X-ray crystal structure of Mycobacterium tuberculosis haloalkane dehalogenase Rv2579. Biochim.Biophys.Acta, 1784, 2008
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6JQZ
| ZHD/H242A complex with ZEN | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, GLYCEROL, Zearalenone hydrolase | Authors: | Hu, X.J. | Deposit date: | 2019-04-02 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Structure of ZHD complex To Be Published
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3TRD
| Structure of an alpha-beta serine hydrolase homologue from Coxiella burnetii | Descriptor: | ACETATE ION, Alpha/beta hydrolase, PHOSPHATE ION, ... | Authors: | Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | Deposit date: | 2011-09-09 | Release date: | 2011-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii. Proteins, 83, 2015
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6YL4
| Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide | Descriptor: | 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide, Bifunctional epoxide hydrolase 2 | Authors: | Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E. | Deposit date: | 2020-04-06 | Release date: | 2020-10-21 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase. J.Med.Chem., 63, 2020
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2R11
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6Y7A
| X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2020-02-28 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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6Y7B
| X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-carbopyronine fluorophore substrate | Descriptor: | 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2020-02-28 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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6JRC
| ZHD complex with hydrolyzed alpha-ZOL | Descriptor: | 2-[(~{E},6~{R},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, POTASSIUM ION, ... | Authors: | Hu, X.J. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of ZHD complex To Be Published
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6YN2
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6JRB
| ZHD/W183F complex with bZOL | Descriptor: | (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, Zearalenone hydrolase | Authors: | Hu, X.J. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of ZHD complex To Be Published
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6JR2
| ZHD/H242A complex with aZOL | Descriptor: | (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, POTASSIUM ION, ... | Authors: | Hu, X.J. | Deposit date: | 2019-04-02 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of ZHD complex To Be Published
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6JRD
| ZHD complex with hydrolyzed beta-ZOL | Descriptor: | 2-[(~{E},6~{S},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, POTASSIUM ION, ... | Authors: | Hu, X.J. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure of ZHD complex To Be Published
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6JR5
| ZHD/H242A complex with bZOL | Descriptor: | (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, GLYCEROL, Zearalenone hydrolase | Authors: | Hu, X.J. | Deposit date: | 2019-04-02 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure of ZHD complex To Be Published
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6JR9
| ZHD/W183F complex with ZEN | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, GLYCEROL, POTASSIUM ION, ... | Authors: | Hu, X.J. | Deposit date: | 2019-04-03 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Structure of ZHD complex To Be Published
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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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2RHW
| Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with 3,10-Di-Fluoro HOPDA | Descriptor: | 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, 3-fluoro-6-(4-fluorophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid, MALONATE ION, ... | Authors: | Bhowmik, S, Bolin, J.T. | Deposit date: | 2007-10-09 | Release date: | 2007-11-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The Molecular Basis for Inhibition of BphD, a C-C Bond Hydrolase Involved in Polychlorinated Biphenyls Degradation: LARGE 3-SUBSTITUENTS PREVENT TAUTOMERIZATION. J.Biol.Chem., 282, 2007
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2RHT
| Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia xenovorans LB400, in complex with 3-Cl HOPDA | Descriptor: | (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid, 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, MALONATE ION, ... | Authors: | Bhowmik, S, Bolin, J.T. | Deposit date: | 2007-10-09 | Release date: | 2007-11-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Molecular Basis for Inhibition of BphD, a C-C Bond Hydrolase Involved in Polychlorinated Biphenyls Degradation: LARGE 3-SUBSTITUENTS PREVENT TAUTOMERIZATION. J.Biol.Chem., 282, 2007
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3V1L
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