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8AX8
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BU of 8ax8 by Molmil
Human Apolipoprotein E4 (ApoE4) N-terminal domain (space group P3121)
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Apolipoprotein E
Authors:Nemergut, M, Marek, M.
Deposit date:2022-08-31
Release date:2023-08-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.551 Å)
Cite: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)
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Apolipoprotein E
Authors:Nemergut, M, Marek, M.
Deposit date:2022-08-31
Release date:2023-08-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.549 Å)
Cite:Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
6G75
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BU of 6g75 by Molmil
Crystal structure of the common ancestor of haloalkane dehalogenases and Renilla luciferase (AncHLD-RLuc)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Common ancestor of haloalkane dehalogenase and Renilla luciferase (AncHLD-RLuc), ...
Authors:Chaloupkova, R, Waterman, J, Marek, M, Damborsky, J.
Deposit date:2018-04-04
Release date:2019-04-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Light-Emitting Dehalogenases: Reconstruction of Multifunctional Biocatalysts
Acs Catalysis, 2019
6XT8
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BU of 6xt8 by Molmil
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
6XTC
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BU of 6xtc by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3
Descriptor: GLYCEROL, Haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3, SULFATE ION
Authors:Markova, K, Damborsky, J, Marek, M.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.543 Å)
Cite: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)
Descriptor: ACETATE ION, Coelenterazine h 2-monooxygenase, GLYCEROL, ...
Authors:Damborsky, J, Marek, M.
Deposit date:2020-04-10
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
4E46
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BU of 4e46 by Molmil
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
4F60
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BU of 4f60 by Molmil
Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (T148L, G171Q, A172V, C176F).
Descriptor: FLUORIDE ION, Haloalkane dehalogenase
Authors:Plevaka, M, Kuta-Smatanova, I, Rezacova, P.
Deposit date:2012-05-14
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Engineering enzyme stability and resistance to an organic cosolvent by modification of residues in the access tunnel.
Angew.Chem.Int.Ed.Engl., 52, 2013
4F5Z
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BU of 4f5z by Molmil
Crystal structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant (L95V, A172V).
Descriptor: BENZOIC ACID, CHLORIDE ION, Haloalkane dehalogenase
Authors:Kulik, D, Kuta-Smatanova, I, Rezacova, P.
Deposit date:2012-05-14
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Engineering enzyme stability and resistance to an organic cosolvent by modification of residues in the access tunnel.
Angew.Chem.Int.Ed.Engl., 52, 2013
8CE0
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BU of 8ce0 by Molmil
N-terminal domain of human apolipoprotein E
Descriptor: GLYCEROL, Maltodextrin-binding protein,Apolipoprotein E
Authors:Marek, M, Nemergut, M.
Deposit date:2023-02-01
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: Maltodextrin-binding protein,Apolipoprotein E
Authors:Marek, M, Nemergut, M.
Deposit date:2023-02-01
Release date:2023-07-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Domino-like effect of C112R mutation on ApoE4 aggregation and its reduction by Alzheimer's Disease drug candidate.
Mol Neurodegener, 18, 2023
1K5P
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BU of 1k5p by Molmil
Hydrolytic haloalkane dehalogenase LINB from sphingomonas paucimobilis UT26 at 1.8A resolution
Descriptor: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION
Authors:Streltsov, V.A, Damborsky, J, Wilce, M.C.J.
Deposit date:2001-10-12
Release date:2003-08-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
1K63
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BU of 1k63 by Molmil
Complex of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis with UT26 2-BROMO-2-PROPENE-1-OL at 1.8A resolution
Descriptor: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, 2-BROMO-2-PROPENE-1-OL, BROMIDE ION, ...
Authors:Streltsov, V.A, Damborsky, J, Wilce, M.C.J.
Deposit date:2001-10-15
Release date:2003-08-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
1IZ8
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BU of 1iz8 by Molmil
Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 with 1,3-propanediol, a product of debromidation of dibrompropane, at 2.0A resolution
Descriptor: 1,3-PROPANDIOL, BROMIDE ION, CALCIUM ION, ...
Authors:Streltsov, V.A.
Deposit date:2002-09-30
Release date:2002-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
1IZ7
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BU of 1iz7 by Molmil
Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 AT 1.6 A resolution
Descriptor: CALCIUM ION, CHLORIDE ION, HALOALKANE DEHALOGENASE, ...
Authors:Streltsov, V.A.
Deposit date:2002-09-30
Release date:2002-10-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
8AQH
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BU of 8aqh by Molmil
NanoLuc-Y94A luciferase mutant
Descriptor: NanoLuc luciferase
Authors:Nemergut, M, Marek, M.
Deposit date:2022-08-12
Release date:2023-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.798 Å)
Cite:Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8AQ6
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BU of 8aq6 by Molmil
NanoLuc luciferase with bound furimamide in surface allosteric site
Descriptor: CHLORIDE ION, GLYCEROL, N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide, ...
Authors:Nemergut, M, Marek, M.
Deposit date:2022-08-11
Release date:2023-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8AQI
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BU of 8aqi by Molmil
NanoLuc luciferase with bound coelenteramide in surface allosteric site
Descriptor: CHLORIDE ION, N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE, NanoLuc luciferase, ...
Authors:Nemergut, M, Marek, M.
Deposit date:2022-08-12
Release date:2023-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8BO9
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BU of 8bo9 by Molmil
NanoLuc-D9R/H57A/K89R mutant complexed with azacoelenterazine bound in intra-barrel catalytic site
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, Non structural polyprotein
Authors:Marek, M, Janin, L.Y.
Deposit date:2022-11-15
Release date:2023-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Illuminating the mechanism and allosteric behavior of NanoLuc luciferase.
Nat Commun, 14, 2023
8CLT
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BU of 8clt by Molmil
Zearalenone lactonase of Rhodococcus erythropolis
Descriptor: GLYCEROL, Zearalenone lactonase
Authors:Puehringer, D, Mlynek, G.
Deposit date:2023-02-17
Release date:2024-02-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
8CLP
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BU of 8clp by Molmil
Zearalenone lactonase from Streptomyces coelicoflavus mutant H286Y
Descriptor: Hydrolase
Authors:Puehringer, D, Mlynek, G.
Deposit date:2023-02-17
Release date:2024-02-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
8CLU
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BU of 8clu by Molmil
Zearalenone lactonase from Rhodococcus erythropolis in complex with zearalactamenone
Descriptor: (4~{S})-4-methyl-16,18-bis(oxidanyl)-3-azabicyclo[12.4.0]octadeca-1(18),12,14,16-tetraene-2,8-dione, GLYCEROL, Zearalenone lactonase
Authors:Puehringer, D.
Deposit date:2023-02-17
Release date:2024-02-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
8CLN
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BU of 8cln by Molmil
Zearalenone lactonase from Streptomyces coelicoflavus, SeMet derivative for SAD phasing
Descriptor: Hydrolase
Authors:Puehringer, D, Grishkovskaya, I, Mlynek, G, Kostan, J.
Deposit date:2023-02-17
Release date:2024-02-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
8CLO
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BU of 8clo by Molmil
Zearalenone lactonase from Streptomyces coelicoflavus
Descriptor: 1,2-ETHANEDIOL, Hydrolase
Authors:Puehringer, D, Grishkovskaya, I, Mlynek, G, Kostan, J.
Deposit date:2023-02-17
Release date:2024-02-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024
8CLV
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BU of 8clv by Molmil
Zearalenone lactonase of Rhodococcus erythropolis in complex with hydrolyzed zearalenone
Descriptor: 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid, Zearalenone lactonase
Authors:Puehringer, D.
Deposit date:2023-02-17
Release date:2024-02-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Bacterial Lactonases ZenA with Noncanonical Structural Features Hydrolyze the Mycotoxin Zearalenone.
Acs Catalysis, 14, 2024

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