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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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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4O5S
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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: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
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8F7H
 | | The condensation domain of surfactin A synthetase C variant 18b in space group P212121 | | Descriptor: | GLYCEROL, Surfactin synthetase | | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
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8F7I
 | | The condensation domain of surfactin A synthetase C variant 18b in space group P43212 | | Descriptor: | GLYCEROL, Surfactin synthetase | | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, M. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
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8F7G
 | | The condensation domain of surfactin A synthetase C in space group P212121 | | Descriptor: | GLYCEROL, Surfactin synthetase | | Authors: | Frota, N.F, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
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8F7F
 | | The condensation domain of surfactin A synthetase C in space group P43212 | | Descriptor: | GLYCEROL, Surfactin synthetase | | Authors: | Frota, N, Pistofidis, A, Folger, I.B, Hilvert, D, Schmeing, T.M. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-22 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | High-throughput reprogramming of an NRPS condensation domain.
Nat.Chem.Biol., 20, 2024
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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 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.4 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 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (5.2 Å) | | Cite: | Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
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4PA8
 | | Crystal structure of a de novo retro-aldolase catalyzing asymmetric Michael additions, with a covalently bound product analog | | Descriptor: | (3R)-3-(4-methoxyphenyl)-5-oxohexanenitrile, GLYCEROL, SULFATE ION, ... | | Authors: | Beck, T, Garrabou Pi, X, Hilvert, D. | | Deposit date: | 2014-04-07 | | Release date: | 2015-04-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A Promiscuous De Novo Retro-Aldolase Catalyzes Asymmetric Michael Additions via Schiff Base Intermediates.
Angew.Chem.Int.Ed.Engl., 54, 2015
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7A4F
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7A4H
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7A4G
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7A4I
 | | Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-3 | | 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: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (7.04 Å) | | Cite: | Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
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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: | 2024-05-01 | | 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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5OD1
 | | Structure of the engineered metalloesterase MID1sc10 complexed with a phosphonate transition state analogue | | Descriptor: | GLYCEROL, MID1sc10, ZINC ION, ... | | Authors: | Mittl, P.R.E, Studer, S, Hansen, D.A, Hilvert, D. | | Deposit date: | 2017-07-04 | | Release date: | 2018-12-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Science, 362, 2018
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5OD9
 | | Structure of the engineered metalloesterase MID1sc9 | | Descriptor: | (2~{S})-2-phenylpropanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Studer, S, Mittl, P.R.E, Hilvert, D. | | Deposit date: | 2017-07-05 | | Release date: | 2018-12-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Science, 362, 2018
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6ZV9
 | | Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W) | | Descriptor: | 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE | | Authors: | Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C. | | Deposit date: | 2020-07-24 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.85 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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6TFA
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6TU6
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6SS3
 | | Kemp Eliminase HG3.17 mutant Q50K, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50K, ... | | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | | Deposit date: | 2019-09-06 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
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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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3UD6
 | | Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design | | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION | | Authors: | Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D. | | Deposit date: | 2011-10-27 | | Release date: | 2011-11-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.091 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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6SRW
 | | Kemp Eliminase HG3.17 mutant Q50F, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole | | Descriptor: | 6-NITROBENZOTRIAZOLE, GLYCEROL, Kemp Eliminase HG3.17 Q50F | | Authors: | Bloch, J.S, Pinkas, D.M, Hilvert, D. | | Deposit date: | 2019-09-06 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Contribution of Oxyanion Stabilization to Kemp Eliminase Efficiencyproficiency
Acs Catalysis, 2020
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