7OJM
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2021-05-16 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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7OKZ
| CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL- QUINOLIN-4(1H)-ONE UNDER HYPEROXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2021-05-18 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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7OMR
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7OMD
| Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A | Descriptor: | 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ... | Authors: | Schenkmayerova, A, Janin, Y.L, Marek, M. | Deposit date: | 2021-05-21 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
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7P4K
| Soluble epoxide hydrolase in complex with FL217 | Descriptor: | Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide | Authors: | Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-07-11 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors. J.Med.Chem., 64, 2021
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4OSE
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6YAS
| HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS, ROOM TEMPERATURE STRUCTURE | Descriptor: | PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION | 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 (2.2 Å) | Cite: | Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis. Protein Sci., 8, 1999
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7PCW
| X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-M175W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | Authors: | Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K. | Deposit date: | 2021-08-04 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Engineered HaloTag variants for fluorescence lifetime multiplexing. Nat.Methods, 19, 2022
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7PCX
| X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165W LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K. | Deposit date: | 2021-08-04 | Release date: | 2021-12-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Engineered HaloTag variants for fluorescence lifetime multiplexing. Nat.Methods, 19, 2022
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4O08
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1QJ4
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6XY9
| Crystal structure of haloalkane dehalogenase DbeA-M1 loop variant from Bradyrhizobium elkanii | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Prudnikova, T, Rezacova, P, Kuta Smatanova, I, Chaloupkova, R, Damborsky, J. | Deposit date: | 2020-01-29 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and catalytic effects of surface loop-helix transplantation within haloalkane dehalogenase family. Comput Struct Biotechnol J, 18, 2020
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1Q0R
| Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT) | Descriptor: | 10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT), PENTAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Jansson, A, Niemi, J, Mantsala, P, Schneider, G, Structural Proteomics in Europe (SPINE) | Deposit date: | 2003-07-17 | Release date: | 2003-11-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of aclacinomycin methylesterase with bound product analogues: implications for anthracycline recognition and mechanism. J.Biol.Chem., 278, 2003
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6XTC
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6XT8
| Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Markova, K, Damborsky, J, Marek, M. | Deposit date: | 2020-01-15 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers Acs Catalysis, 11, 2021
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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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1SCQ
| K236L mutant of hydroxynitrile lyase from Hevea brasiliensis in complex with acetonecyanohydrin | Descriptor: | (S)-acetone-cyanohydrin lyase, 2-HYDROXY-2-METHYLPROPANENITRILE, 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 (2.9 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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4NZZ
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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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6YN2
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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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1SC9
| Hydroxynitrile Lyase from Hevea brasiliensis in complex with the natural substrate acetone cyanohydrin | Descriptor: | (S)-acetone-cyanohydrin lyase, 2-HYDROXY-2-METHYLPROPANENITRILE, 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 (1.8 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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1Q0Z
| Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin A (DcmA) | Descriptor: | 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA), PENTAETHYLENE GLYCOL, SULFATE ION, ... | Authors: | Jansson, A, Niemi, J, Mantsala, P, Schneider, G, Structural Proteomics in Europe (SPINE) | Deposit date: | 2003-07-18 | Release date: | 2003-11-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of aclacinomycin methylesterase with bound product analogues: implications for anthracycline recognition and mechanism. J.Biol.Chem., 278, 2003
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