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1FNK
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BU of 1fnk by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88K/R90S
分子名称: PROTEIN (CHORISMATE MUTASE)
著者Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D.
登録日2000-08-22
公開日2000-10-11
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
1FNJ
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BU of 1fnj by Molmil
CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88S/R90K
分子名称: PROTEIN (CHORISMATE MUTASE)
著者Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D.
登録日2000-08-22
公開日2000-10-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
8QBA
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BU of 8qba by Molmil
Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester
分子名称: ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Tinzl, M, Mittl, P.R.E, Hilvert, D.
登録日2023-08-24
公開日2023-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
8QBC
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BU of 8qbc by Molmil
Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A
分子名称: ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Tinzl, M, Mittl, P.R.E, Hilvert, D.
登録日2023-08-24
公開日2023-12-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
6NW4
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BU of 6nw4 by Molmil
Evolution of a computationally designed Kemp eliminase
分子名称: 6-NITROBENZOTRIAZOLE, Indole-3-glycerol phosphate synthase, SULFATE ION
著者Bunzel, A, Mittl, P, Hilvert, D.
登録日2019-02-06
公開日2019-07-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Emergence of a Negative Activation Heat Capacity during Evolution of a Designed Enzyme.
J.Am.Chem.Soc., 141, 2019
4JXI
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BU of 4jxi by Molmil
Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, BROMIDE ION, GLYCEROL, ...
著者Kuzin, A, Smith, M.D, Richter, F, Lew, S, Seetharaman, R, Bryan, C, Lech, Z, Kiss, G, Moretti, R, Maglaqui, M, Xiao, R, Kohan, E, Smith, M, Everett, J.K, Nguyen, R, Pande, V, Hilvert, D, Kornhaber, G, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-03-28
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184
To be Published
8AH9
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BU of 8ah9 by Molmil
De novo retro-aldolase RAbetaB-16.1
分子名称: BENZOIC ACID, RAbetaB-16.1
著者Mittl, P, Oualb Chaib, A, Hilvert, D.
登録日2022-07-21
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.747 Å)
主引用文献Design and optimization of enzymatic activity in a de novo beta-barrel scaffold.
Protein Sci., 31, 2022
7BWW
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BU of 7bww by Molmil
Structure of the engineered metallo-Diels-Alderase DA7 W16S
分子名称: ACETIC ACID, BENZOIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Basler, S, Mori, T, Hilvert, D.
登録日2020-04-16
公開日2021-04-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold.
Nat.Chem., 13, 2021
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
1SEL
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BU of 1sel by Molmil
CRYSTAL STRUCTURE OF SELENOSUBTILISIN AT 2.0-ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, SELENOSUBTILISIN
著者Syed, R, Hogle, J.M, Hilvert, D.
登録日1993-01-17
公開日1993-10-31
最終更新日2013-12-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of selenosubtilisin at 2.0-A resolution.
Biochemistry, 32, 1993
6WXP
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BU of 6wxp by Molmil
De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE
著者Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
登録日2020-05-11
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WXO
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BU of 6wxo by Molmil
De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE
分子名称: GLYCEROL, SULFATE ION, TFD-HE
著者Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D.
登録日2020-05-11
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
1UBN
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BU of 1ubn by Molmil
SELENOSUBTILISIN BPN
分子名称: CALCIUM ION, PROTEIN (SELENOSUBTILISIN BPN)
著者McRee, D.E, McTigue, M, Hilvert, D.
登録日1999-06-02
公開日1999-06-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Electric fields in active sites: substrate switching from null to strong fields in thiol- and selenol-subtilisins.
Biochemistry, 38, 1999
7YWJ
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BU of 7ywj by Molmil
Crystal structure of an engineered TycA variant, TycA pPLA (L313P)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ...
著者Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D.
登録日2022-02-14
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids.
J.Am.Chem.Soc., 144, 2022
7YWK
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BU of 7ywk by Molmil
Crystal structure of an engineered TycA variant, TycApPLA, in complex with AMP
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ...
著者Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D.
登録日2022-02-14
公開日2022-09-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids.
J.Am.Chem.Soc., 144, 2022
1FIG
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BU of 1fig by Molmil
ROUTES TO CATALYSIS: STRUCTURE OF A CATALYTIC ANTIBODY AND COMPARISON WITH ITS NATURAL COUNTERPART
分子名称: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, IGG1-KAPPA 1F7 FAB (HEAVY CHAIN), IGG1-KAPPA 1F7 FAB (LIGHT CHAIN)
著者Haynes, M.R, Stura, E.A, Hilvert, D, Wilson, I.A.
登録日1994-01-07
公開日1994-05-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Routes to catalysis: structure of a catalytic antibody and comparison with its natural counterpart.
Science, 263, 1994
5MPP
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BU of 5mpp by Molmil
Structure of AaLS-wt
分子名称: 6,7-dimethyl-8-ribityllumazine synthase
著者Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D.
登録日2016-12-17
公開日2017-03-22
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
5MQ7
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BU of 5mq7 by Molmil
Structure of AaLS-13
分子名称: 6,7-dimethyl-8-ribityllumazine synthase
著者Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D.
登録日2016-12-20
公開日2017-03-22
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
5MQ3
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BU of 5mq3 by Molmil
Structure of AaLS-neg
分子名称: 6,7-dimethyl-8-ribityllumazine synthase
著者Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D.
登録日2016-12-20
公開日2017-03-22
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
5N82
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BU of 5n82 by Molmil
Crystal structure of an engineered TycA variant in complex with an beta-Phe-AMP analog
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ...
著者Niquille, D.L, Hansen, D.L, Mori, T, Fercher, D, Kries, H, Hilvert, D.
登録日2017-02-22
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.708 Å)
主引用文献Nonribosomal biosynthesis of backbone-modified peptides.
Nat Chem, 10, 2018
5N81
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BU of 5n81 by Molmil
Crystal structure of an engineered TycA variant in complex with an O-propargyl-beta-Tyr-AMP analog
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ...
著者Niquille, D.L, Hansen, D.A, Mori, T, Fercher, D, Kries, H, Hilvert, D.
登録日2017-02-22
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Nonribosomal biosynthesis of backbone-modified peptides.
Nat Chem, 10, 2018
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
7A4J
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BU of 7a4j by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4
分子名称: Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase
著者Tetter, S, Hilvert, D.
登録日2020-08-19
公開日2021-06-02
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021

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