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2V9Z
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Structure of the Rhodococcus haloalkane dehalogenase mutant with enhanced enantioselectivity
分子名称: HALOALKANE DEHALOGENASE
著者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.
登録日2007-08-28
公開日2008-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Rational Engineering of Rhodococcus Haloalkane Dehalogenase with Enhanced Enantioselectivity
To be Published
1G42
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STRUCTURE OF 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE (LINB) FROM SPHINGOMONAS PAUCIMOBILIS COMPLEXED WITH 1,2-DICHLOROPROPANE
分子名称: 1,2-DICHLORO-PROPANE, 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE, ACETATE ION, ...
著者Oakley, A.J, Prokop, Z, Bohac, M, Kmunicek, J, Jedlicka, T, Monincova, M, Kuta-Smatanova, I, Nagata, Y, Damborsky, J, Wilce, M.C.J.
登録日2000-10-26
公開日2001-10-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition.
Biochemistry, 41, 2002
1G4H
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LINB COMPLEXED WITH BUTAN-1-OL
分子名称: 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE, 1-BUTANOL, CALCIUM ION, ...
著者Oakley, A.J, Prokop, Z, Bohac, M, Kmunicek, J, Jedlicka, T, Monincova, M, Kuta-Smatanova, I, Nagata, Y, Damborsky, J, Wilce, M.C.J.
登録日2000-10-27
公開日2001-10-27
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition.
Biochemistry, 41, 2002
1G5F
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BU of 1g5f by Molmil
STRUCTURE OF LINB COMPLEXED WITH 1,2-DICHLOROETHANE
分子名称: 1,2-DICHLOROETHANE, 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE, CALCIUM ION, ...
著者Oakley, A.J, Prokop, Z, Bohac, M, Kmunicek, J, Jedlicka, T, Monincova, M, Kuta-Smatanova, I, Nagata, Y, Damborsky, J, Wilce, M.C.J.
登録日2000-11-01
公開日2001-11-01
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploring the structure and activity of haloalkane dehalogenase from Sphingomonas paucimobilis UT26: evidence for product- and water-mediated inhibition.
Biochemistry, 41, 2002
1K6E
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BU of 1k6e by Molmil
COMPLEX OF HYDROLYTIC HALOALKANE DEHALOGENASE LINB FROM SPHINGOMONAS PAUCIMOBILIS UT26 WITH 1,2-PROPANEDIOL (PRODUCT OF DEHALOGENATION OF 1,2-DIBROMOPROPANE) AT 1.85A
分子名称: 1-BROMOPROPANE-2-OL, BROMIDE ION, CHLORIDE ION, ...
著者Streltsov, V.A, Prokop, Z, Damborsky, J, Nagata, Y, Oakley, A, Wilce, M.C.J.
登録日2001-10-16
公開日2003-08-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates.
Biochemistry, 42, 2003
3A2M
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BU of 3a2m by Molmil
CRYSTAL STRUCTURE OF DBJA (WILD TYPE Type I)
分子名称: CHLORIDE ION, Haloalkane dehalogenase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
著者Sato, Y, Senda, T.
登録日2009-05-23
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
3A2L
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Crystal structure of DBJA (mutant dbja delta)
分子名称: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
著者Sato, Y, Senda, T.
登録日2009-05-23
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
3AFI
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BU of 3afi by Molmil
Crystal structure of DBJA (HIS-DBJA)
分子名称: CHLORIDE ION, Haloalkane dehalogenase
著者Sato, Y, Senda, T.
登録日2010-03-02
公開日2011-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
3A2N
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BU of 3a2n by Molmil
Crystal structure of DBJA (Wild Type Type II P21)
分子名称: CHLORIDE ION, Haloalkane dehalogenase
著者Sato, Y, Senda, T.
登録日2009-05-23
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
6S6E
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BU of 6s6e by Molmil
Crystal structure of the engineered ancestor of haloalkane dehalogenases and Renilla luciferase (AncHLD-RLuc I161_F162PinsL)
分子名称: Engineered ancestor of haloalkane dehalogenases and Renilla luciferase (AncHLD-RLuc I161_F162PinsL)
著者Schenkmayerova, A, Damborsky, J, Marek, M.
登録日2019-07-03
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
8CE0
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BU of 8ce0 by Molmil
N-terminal domain of human apolipoprotein E
分子名称: GLYCEROL, Maltodextrin-binding protein,Apolipoprotein E
著者Marek, M, Nemergut, M.
登録日2023-02-01
公開日2023-07-19
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
8CDY
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BU of 8cdy by Molmil
N-terminal domain of human apolipoprotein E
分子名称: Maltodextrin-binding protein,Apolipoprotein E
著者Marek, M, Nemergut, M.
登録日2023-02-01
公開日2023-07-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
4F5Z
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BU of 4f5z by Molmil
Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (L95V, A172V).
分子名称: BENZOIC ACID, CHLORIDE ION, Haloalkane dehalogenase
著者Kulik, D, Kuta-Smatanova, I, Rezacova, P.
登録日2012-05-14
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Engineering enzyme stability and resistance to an organic cosolvent by modification of residues in the access tunnel.
Angew.Chem.Int.Ed.Engl., 52, 2013
4F60
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BU of 4f60 by Molmil
Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (T148L, G171Q, A172V, C176F).
分子名称: FLUORIDE ION, Haloalkane dehalogenase
著者Plevaka, M, Kuta-Smatanova, I, Rezacova, P.
登録日2012-05-14
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Engineering enzyme stability and resistance to an organic cosolvent by modification of residues in the access tunnel.
Angew.Chem.Int.Ed.Engl., 52, 2013
4E46
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BU of 4e46 by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA in complex with 2-propanol
分子名称: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Stsiapanava, A, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
登録日2012-03-12
公開日2013-03-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Expansion of access tunnels and active-site cavities influence activity of haloalkane dehalogenases in organic cosolvents.
Chembiochem, 14, 2013
2BFN
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BU of 2bfn by Molmil
The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane.
分子名称: (2S)-2,3-DICHLOROPROPAN-1-OL, CALCIUM ION, CHLORIDE ION, ...
著者Banas, P, Otyepka, M, Jerabek, P, Vevodova, J, Bohac, M, Damborsky, J.
登録日2004-12-09
公開日2006-06-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Weak Activity of Haloalkane Dehalogenase Linb with 1,2,3-Trichloropropane Revealed by X-Ray Crystallography and Microcalorimetry
Appl.Environ.Microbiol., 73, 2007
5LKA
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BU of 5lka by Molmil
Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution
分子名称: Haloalkane dehalogenase, THIOCYANATE ION
著者Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
登録日2016-07-21
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.298 Å)
主引用文献Engineering a de novo transport tunnel.
Acs Catalysis, 2016
6XTC
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BU of 6xtc by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3
分子名称: GLYCEROL, Haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3, SULFATE ION
著者Markova, K, Damborsky, J, Marek, M.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.543 Å)
主引用文献Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
6XT8
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BU of 6xt8 by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Markova, K, Damborsky, J, Marek, M.
登録日2020-01-15
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
6YN2
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BU of 6yn2 by Molmil
Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex with a coelenteramide (the postcatalytic enzyme-product complex)
分子名称: ACETATE ION, Coelenterazine h 2-monooxygenase, GLYCEROL, ...
著者Damborsky, J, Marek, M.
登録日2020-04-10
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
8AX8
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BU of 8ax8 by Molmil
Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P3121)
分子名称: Maltose/maltodextrin-binding periplasmic protein,Apolipoprotein E
著者Nemergut, M, Marek, M.
登録日2022-08-31
公開日2023-08-02
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
8AX9
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BU of 8ax9 by Molmil
Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P212121)
分子名称: Maltose/maltodextrin-binding periplasmic protein,Apolipoprotein E
著者Nemergut, M, Marek, M.
登録日2022-08-31
公開日2023-08-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
7OMO
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BU of 7omo by Molmil
Crystal structure of coelenteramine-bound Renilla reniformis luciferase RLuc8-D120A variant
分子名称: 4-[5-azanyl-6-(phenylmethyl)pyrazin-2-yl]phenol, CHLORIDE ION, GLYCEROL, ...
著者Schenkmayerova, A, Marek, M.
登録日2021-05-24
公開日2022-06-01
最終更新日2023-01-18
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OMR
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BU of 7omr by Molmil
Crystal structure of coelenteramide-bound Renilla reniformis luciferase RLuc8-D162A variant
分子名称: Coelenterazine h 2-monooxygenase, GLYCEROL, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE
著者Schenkmayerova, A, Marek, M.
登録日2021-05-24
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OMD
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Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
分子名称: 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, ...
著者Schenkmayerova, A, Janin, Y.L, Marek, M.
登録日2021-05-21
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023

 

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