1FNK
| CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88K/R90S | Descriptor: | PROTEIN (CHORISMATE MUTASE) | Authors: | Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D. | Deposit date: | 2000-08-22 | Release date: | 2000-10-11 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A strategically positioned cation is crucial for efficient catalysis by chorismate mutase. J.Biol.Chem., 275, 2000
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1FNJ
| CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88S/R90K | Descriptor: | PROTEIN (CHORISMATE MUTASE) | Authors: | Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D. | Deposit date: | 2000-08-22 | Release date: | 2000-10-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A strategically positioned cation is crucial for efficient catalysis by chorismate mutase. J.Biol.Chem., 275, 2000
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8QBA
| Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. J.Am.Chem.Soc., 146, 2024
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8QBC
| Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A | Descriptor: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Tinzl, M, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2023-08-24 | Release date: | 2023-12-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate. J.Am.Chem.Soc., 146, 2024
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6NW4
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4JXI
| Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184 | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, BROMIDE ION, GLYCEROL, ... | Authors: | 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) | Deposit date: | 2013-03-28 | Release date: | 2013-05-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Directed evolution and rational design of a de novo designed esterase toward improved catalysis. Northeast Structural Genomics Consortium (NESG) Target OR184 To be Published
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8AH9
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7BWW
| Structure of the engineered metallo-Diels-Alderase DA7 W16S | Descriptor: | ACETIC ACID, BENZOIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Basler, S, Mori, T, Hilvert, D. | Deposit date: | 2020-04-16 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold. Nat.Chem., 13, 2021
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5AN7
| Structure of the engineered retro-aldolase RA95.5-8F with a bound 1,3-diketone inhibitor | Descriptor: | (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one, PHOSPHATE ION, RA95.5-8F | Authors: | Obexer, R, Mittl, P.R.E, Hilvert, D. | Deposit date: | 2015-09-04 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase. Nat Chem, 9, 2017
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5AOU
| Structure of the engineered retro-aldolase RA95.5-8F apo | Descriptor: | 1,2-ETHANEDIOL, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, PHOSPHATE ION | Authors: | Obexer, R, Mittl, P, Hilvert, D. | Deposit date: | 2015-09-11 | Release date: | 2016-08-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Emergence of a catalytic tetrad during evolution of a highly active artificial aldolase. Nat Chem, 9, 2017
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1SEL
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6WXP
| De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | Deposit date: | 2020-05-11 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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6WXO
| De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE | Descriptor: | GLYCEROL, SULFATE ION, TFD-HE | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | Deposit date: | 2020-05-11 | Release date: | 2020-11-25 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | 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
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1UBN
| SELENOSUBTILISIN BPN | Descriptor: | CALCIUM ION, PROTEIN (SELENOSUBTILISIN BPN) | Authors: | McRee, D.E, McTigue, M, Hilvert, D. | Deposit date: | 1999-06-02 | Release date: | 1999-06-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Electric fields in active sites: substrate switching from null to strong fields in thiol- and selenol-subtilisins. Biochemistry, 38, 1999
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7YWJ
| Crystal structure of an engineered TycA variant, TycA pPLA (L313P) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ... | Authors: | Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D. | Deposit date: | 2022-02-14 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids. J.Am.Chem.Soc., 144, 2022
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7YWK
| Crystal structure of an engineered TycA variant, TycApPLA, in complex with AMP | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Mittl, P, Camus, A, Truong, G, Markert, G, Hilvert, D. | Deposit date: | 2022-02-14 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Reprogramming Nonribosomal Peptide Synthetases for Site-Specific Insertion of alpha-Hydroxy Acids. J.Am.Chem.Soc., 144, 2022
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1FIG
| ROUTES TO CATALYSIS: STRUCTURE OF A CATALYTIC ANTIBODY AND COMPARISON WITH ITS NATURAL COUNTERPART | Descriptor: | 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) | Authors: | Haynes, M.R, Stura, E.A, Hilvert, D, Wilson, I.A. | Deposit date: | 1994-01-07 | Release date: | 1994-05-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Routes to catalysis: structure of a catalytic antibody and comparison with its natural counterpart. Science, 263, 1994
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5MPP
| Structure of AaLS-wt | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | Authors: | Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D. | Deposit date: | 2016-12-17 | Release date: | 2017-03-22 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (3.94 Å) | Cite: | Structure and assembly of scalable porous protein cages. Nat Commun, 8, 2017
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5MQ7
| Structure of AaLS-13 | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | Authors: | Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Structure and assembly of scalable porous protein cages. Nat Commun, 8, 2017
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5MQ3
| Structure of AaLS-neg | Descriptor: | 6,7-dimethyl-8-ribityllumazine synthase | Authors: | Sasaki, E, Boehringer, D, Leibundgut, M, Ban, N, Hilvert, D. | Deposit date: | 2016-12-20 | Release date: | 2017-03-22 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Structure and assembly of scalable porous protein cages. Nat Commun, 8, 2017
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5N82
| Crystal structure of an engineered TycA variant in complex with an beta-Phe-AMP analog | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ... | Authors: | Niquille, D.L, Hansen, D.L, Mori, T, Fercher, D, Kries, H, Hilvert, D. | Deposit date: | 2017-02-22 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.708 Å) | Cite: | Nonribosomal biosynthesis of backbone-modified peptides. Nat Chem, 10, 2018
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5N81
| Crystal structure of an engineered TycA variant in complex with an O-propargyl-beta-Tyr-AMP analog | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, Tyrocidine synthase 1, ... | Authors: | Niquille, D.L, Hansen, D.A, Mori, T, Fercher, D, Kries, H, Hilvert, D. | Deposit date: | 2017-02-22 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nonribosomal biosynthesis of backbone-modified peptides. Nat Chem, 10, 2018
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4O5T
| Crystal structure of Diels-Alderase CE20 in complex with a product analog | Descriptor: | 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate, Diisopropyl-fluorophosphatase | Authors: | Beck, T, Preiswerk, N, Mayer, C, Hilvert, D. | Deposit date: | 2013-12-20 | Release date: | 2014-06-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase. Proc.Natl.Acad.Sci.USA, 111, 2014
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4O5S
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7A4J
| Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-4 | Descriptor: | Antitermination protein N,6,7-dimethyl-8-ribityllumazine synthase,6,7-dimethyl-8-ribityllumazine synthase | Authors: | Tetter, S, Hilvert, D. | Deposit date: | 2020-08-19 | Release date: | 2021-06-02 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein. Science, 372, 2021
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