2V9Z
| Structure of the Rhodococcus haloalkane dehalogenase mutant with enhanced enantioselectivity | Descriptor: | HALOALKANE DEHALOGENASE | Authors: | Koudelakova, T, Prokop, Z, Sato, Y, Lapkouski, M, Chovancova, E, Monincova, M, Jesenska, A, Emmer, J, Senda, T, Nagata, Y, Kuta Smatanova, I, Damborsky, J. | Deposit date: | 2007-08-28 | Release date: | 2008-09-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Rational Engineering of Rhodococcus Haloalkane Dehalogenase with Enhanced Enantioselectivity To be Published
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1G42
| STRUCTURE OF 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE (LINB) FROM SPHINGOMONAS PAUCIMOBILIS COMPLEXED WITH 1,2-DICHLOROPROPANE | Descriptor: | 1,2-DICHLORO-PROPANE, 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE, ACETATE ION, ... | Authors: | Oakley, A.J, Prokop, Z, Bohac, M, Kmunicek, J, Jedlicka, T, Monincova, M, Kuta-Smatanova, I, Nagata, Y, Damborsky, J, Wilce, M.C.J. | Deposit date: | 2000-10-26 | Release date: | 2001-10-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition. Biochemistry, 41, 2002
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1G4H
| LINB COMPLEXED WITH BUTAN-1-OL | Descriptor: | 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE, 1-BUTANOL, CALCIUM ION, ... | Authors: | Oakley, A.J, Prokop, Z, Bohac, M, Kmunicek, J, Jedlicka, T, Monincova, M, Kuta-Smatanova, I, Nagata, Y, Damborsky, J, Wilce, M.C.J. | Deposit date: | 2000-10-27 | Release date: | 2001-10-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition. Biochemistry, 41, 2002
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1G5F
| STRUCTURE OF LINB COMPLEXED WITH 1,2-DICHLOROETHANE | Descriptor: | 1,2-DICHLOROETHANE, 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE, CALCIUM ION, ... | Authors: | Oakley, A.J, Prokop, Z, Bohac, M, Kmunicek, J, Jedlicka, T, Monincova, M, Kuta-Smatanova, I, Nagata, Y, Damborsky, J, Wilce, M.C.J. | Deposit date: | 2000-11-01 | Release date: | 2001-11-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition. Biochemistry, 41, 2002
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1K6E
| COMPLEX OF HYDROLYTIC HALOALKANE DEHALOGENASE LINB FROM SPHINGOMONAS PAUCIMOBILIS UT26 WITH 1,2-PROPANEDIOL (PRODUCT OF DEHALOGENATION OF 1,2-DIBROMOPROPANE) AT 1.85A | Descriptor: | 1-BROMOPROPANE-2-OL, BROMIDE ION, CHLORIDE ION, ... | Authors: | Streltsov, V.A, Prokop, Z, Damborsky, J, Nagata, Y, Oakley, A, Wilce, M.C.J. | Deposit date: | 2001-10-16 | Release date: | 2003-08-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates. Biochemistry, 42, 2003
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3A2M
| CRYSTAL STRUCTURE OF DBJA (WILD TYPE Type I) | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Sato, Y, Senda, T. | Deposit date: | 2009-05-23 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering Angew.Chem.Int.Ed.Engl., 49, 2010
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3A2L
| Crystal structure of DBJA (mutant dbja delta) | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Sato, Y, Senda, T. | Deposit date: | 2009-05-23 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering Angew.Chem.Int.Ed.Engl., 49, 2010
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3AFI
| Crystal structure of DBJA (HIS-DBJA) | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase | Authors: | Sato, Y, Senda, T. | Deposit date: | 2010-03-02 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering Angew.Chem.Int.Ed.Engl., 49, 2010
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3A2N
| Crystal structure of DBJA (Wild Type Type II P21) | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase | Authors: | Sato, Y, Senda, T. | Deposit date: | 2009-05-23 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering Angew.Chem.Int.Ed.Engl., 49, 2010
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5LKA
| Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution | Descriptor: | Haloalkane dehalogenase, THIOCYANATE ION | Authors: | Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. | Deposit date: | 2016-07-21 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.298 Å) | Cite: | Engineering a de novo transport tunnel. Acs Catalysis, 2016
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4E46
| Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA in complex with 2-propanol | Descriptor: | ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ... | Authors: | Stsiapanava, A, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I. | Deposit date: | 2012-03-12 | Release date: | 2013-03-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Expansion of access tunnels and active-site cavities influence activity of haloalkane dehalogenases in organic cosolvents. Chembiochem, 14, 2013
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2BFN
| The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane. | Descriptor: | (2S)-2,3-DICHLOROPROPAN-1-OL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Banas, P, Otyepka, M, Jerabek, P, Vevodova, J, Bohac, M, Damborsky, J. | Deposit date: | 2004-12-09 | Release date: | 2006-06-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed by X-Ray Crystallography and Microcalorimetry Appl.Environ.Microbiol., 73, 2007
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6TY7
| Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-1 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Markova, K, Chaloupkova, R, Damborsky, J, Marek, M. | Deposit date: | 2020-01-15 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 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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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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6YN2
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5FLK
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3SK0
| structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant DhaA12 | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase | Authors: | Lahoda, M, Stsiapanava, A, Mesters, J, Koudelakova, T, Damborsky, J, Kuta-Smatanova, I. | Deposit date: | 2011-06-22 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Dynamics and hydration explain failed functional transformation in dehalogenase design. Nat.Chem.Biol., 10, 2014
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7QXR
| Azacoelenterazine-bound Renilla-type luciferase (AncFT) | Descriptor: | 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Fragment transplantation onto a hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT) | Authors: | Marek, M, Schenkmayerova, A, Janin, Y.L. | Deposit date: | 2022-01-27 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
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7QXQ
| Coelenteramide-bound Renilla-type luciferase (AncFT) | Descriptor: | Fragment transplantation onto hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT), N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | Authors: | Marek, M, Schenkmayerova, A. | Deposit date: | 2022-01-27 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Catalytic mechanism for Renilla-type luciferases Nat Catal, 2023
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6S6E
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6S97
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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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7OMR
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7OMO
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