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5JQJ
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BU of 5jqj by Molmil
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D.
登録日2016-05-05
公開日2017-05-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Enzyme evolvability is contingent on the initial sequence background
To Be Published
5K4M
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BU of 5k4m by Molmil
Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-3
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Metallo-beta-lactamase type 2, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D.
登録日2016-05-20
公開日2017-04-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Enzyme evolvability is contingent on the initial sequence background
To Be Published
8USK
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BU of 8usk by Molmil
Crystal Structure of Kemp Eliminase HG185 in unbound state, 280 K
分子名称: Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USE
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BU of 8use by Molmil
Crystal Structure of Kemp Eliminase HG649 in unbound state, 280 K
分子名称: Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USI
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BU of 8usi by Molmil
Crystal Structure of Kemp Eliminase HG198 in unbound state, 280 K
分子名称: Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USL
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BU of 8usl by Molmil
Crystal Structure of Kemp Eliminase HG185 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USH
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BU of 8ush by Molmil
Crystal Structure of Kemp Eliminase HG630 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USF
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BU of 8usf by Molmil
Crystal Structure of Kemp Eliminase HG649 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USJ
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BU of 8usj by Molmil
Crystal Structure of Kemp Eliminase HG198 with bound transition state analogue, 280 K
分子名称: 6-NITROBENZOTRIAZOLE, Kemp eliminase
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
8USG
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BU of 8usg by Molmil
Crystal Structure of Kemp Eliminase HG630 in unbound state, 280 K
分子名称: Kemp eliminase, SULFATE ION
著者Seifinoferest, B.
登録日2023-10-27
公開日2023-12-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling.
J.Am.Chem.Soc., 146, 2024
5MPV
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BU of 5mpv by Molmil
Crystal structure of a Mycobacterium tuberculosis chorismate mutase optimized for high autonomous activity by directed evolution
分子名称: Intracellular chorismate mutase
著者Thorbjornsrud, H.V, Kamarauskaite, J, Kast, P, Krengel, U.
登録日2016-12-19
公開日2018-08-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Evolving the naturally compromised chorismate mutase from Mycobacterium tuberculosis to top performance.
J.Biol.Chem., 295, 2020
7PL0
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BU of 7pl0 by Molmil
Crystal structure of a DyP-type peroxidase 5G5 variant from Bacillus subtilis
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Borges, P.T, Rodrigues, C, Silva, D, Taborda, A, Brissos, V, Frazao, C, Martins, L.O.
登録日2021-08-27
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Loops around the Heme Pocket Have a Critical Role in the Function and Stability of Bs DyP from Bacillus subtilis .
Int J Mol Sci, 22, 2021
4IXT
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BU of 4ixt by Molmil
Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) bound to ethyl (R)-4-cyano-3-hydroxybutyrate
分子名称: CHLORIDE ION, Halohydrin dehalogenase, ethyl (3R)-4-cyano-3-hydroxybutanoate
著者Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B.
登録日2013-01-28
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Chembiochem, 14, 2013
4IXW
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BU of 4ixw by Molmil
Halohydrin dehalogenase (HheC) bound to ethyl (2S)-oxiran-2-ylacetate
分子名称: CHLORIDE ION, Halohydrin dehalogenase, ethyl (2S)-oxiran-2-ylacetate
著者Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B.
登録日2013-01-28
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Chembiochem, 14, 2013
4IY1
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BU of 4iy1 by Molmil
Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) with chloride bound
分子名称: CHLORIDE ION, Halohydrin dehalogenase
著者Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B.
登録日2013-01-28
公開日2013-02-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Chembiochem, 14, 2013
4LCM
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BU of 4lcm by Molmil
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD9 mutant (simh9014)
分子名称: Transesterase
著者Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y.
登録日2013-06-21
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
4LCL
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BU of 4lcl by Molmil
Simvastatin Synthase (LOVD), from Aspergillus Terreus, LovD6 mutant (simh6208)
分子名称: ISOPROPYL ALCOHOL, Transesterase
著者Gao, X, Sawaya, M.R, Yeates, T.O, Tang, Y.
登録日2013-06-21
公開日2014-04-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The role of distant mutations and allosteric regulation on LovD active site dynamics.
Nat.Chem.Biol., 10, 2014
3QMM
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BU of 3qmm by Molmil
Structure of 6B, a thermostable mutant of Bacillus subtilis lipase obtained through directed evolution
分子名称: Lipase estA
著者Sankaranarayanan, R, Kamal, M.Z.
登録日2011-02-04
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献In vitro evolved non-aggregating and thermostable lipase: structural and thermodynamic investigation
J.Mol.Biol., 413, 2011
5AN7
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BU of 5an7 by Molmil
Structure of the engineered retro-aldolase RA95.5-8F with a bound 1,3-diketone inhibitor
分子名称: (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one, PHOSPHATE ION, RA95.5-8F
著者Obexer, R, Mittl, P.R.E, Hilvert, D.
登録日2015-09-04
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase.
Nat Chem, 9, 2017
5AOU
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BU of 5aou by Molmil
Structure of the engineered retro-aldolase RA95.5-8F apo
分子名称: 1,2-ETHANEDIOL, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, PHOSPHATE ION
著者Obexer, R, Mittl, P, Hilvert, D.
登録日2015-09-11
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase.
Nat Chem, 9, 2017
4O5T
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BU of 4o5t by Molmil
Crystal structure of Diels-Alderase CE20 in complex with a product analog
分子名称: 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate, Diisopropyl-fluorophosphatase
著者Beck, T, Preiswerk, N, Mayer, C, Hilvert, D.
登録日2013-12-20
公開日2014-06-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase.
Proc.Natl.Acad.Sci.USA, 111, 2014
4O5S
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BU of 4o5s by Molmil
Crystal structure of Diels-Alderase CE11
分子名称: Diisopropyl-fluorophosphatase
著者Beck, T, Preiswerk, N, Mayer, C, Hilvert, D.
登録日2013-12-20
公開日2014-06-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PA8
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BU of 4pa8 by Molmil
Crystal structure of a de novo retro-aldolase catalyzing asymmetric Michael additions, with a covalently bound product analog
分子名称: (3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile, GLYCEROL, SULFATE ION, ...
著者Beck, T, Garrabou Pi, X, Hilvert, D.
登録日2014-04-07
公開日2015-04-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献A Promiscuous De Novo Retro-Aldolase Catalyzes Asymmetric Michael Additions via Schiff Base Intermediates.
Angew.Chem.Int.Ed.Engl., 54, 2015
4A29
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BU of 4a29 by Molmil
Structure of the engineered retro-aldolase RA95.0
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, D-MALATE, ENGINEERED RETRO-ALDOL ENZYME RA95.0
著者Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D.
登録日2011-09-23
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Evolution of a designed retro-aldolase leads to complete active site remodeling.
Nat.Chem.Biol., 9, 2013
4A2R
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BU of 4a2r by Molmil
Structure of the engineered retro-aldolase RA95.5-5
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE
著者Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D.
登録日2011-09-28
公開日2012-11-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.302 Å)
主引用文献Evolution of a designed retro-aldolase leads to complete active site remodeling.
Nat.Chem.Biol., 9, 2013

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