7TXV
| Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 E82Q with ATP and 16x(Asp-Arg) | Descriptor: | 16x(Asp-Arg), ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ... | Authors: | Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M. | Deposit date: | 2022-02-09 | Release date: | 2022-06-01 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | A cryptic third active site in cyanophycin synthetase creates primers for polymerization Nat Commun, 13, 2022
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7TXU
| Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ATP and 16x(Asp-Arg) | Descriptor: | 16x(Asp-Arg), ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ... | Authors: | Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M. | Deposit date: | 2022-02-09 | Release date: | 2022-06-01 | Last modified: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A cryptic third active site in cyanophycin synthetase creates primers for polymerization Nat Commun, 13, 2022
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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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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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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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6Z4R
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6Z4T
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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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6F17
| Structure of Mb NMH H64V, V68A mutant resting state | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | Deposit date: | 2017-11-21 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
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6F19
| Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 5 min | Descriptor: | ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | Deposit date: | 2017-11-21 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.895 Å) | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
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6F1A
| Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 20 min | Descriptor: | ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | Deposit date: | 2017-11-21 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
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6F18
| Structure of Mb NMH H64V, V68A mutant complex with EDA | Descriptor: | ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | Deposit date: | 2017-11-21 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
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6G5T
| Myoglobin H64V/V68A in the resting state, 1.5 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | Deposit date: | 2018-03-30 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
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6G5A
| Heme-carbene complex in myoglobin H64V/V68A containing an N-methylhistidine as the proximal ligand, 1.48 angstrom resolution | Descriptor: | ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | Deposit date: | 2018-03-29 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
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6G5B
| Heme-carbene complex in myoglobin H64V/V68A containing an N-methylhistidine as the proximal ligand, 1.6 angstrom resolution | Descriptor: | ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | Deposit date: | 2018-03-29 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme Nat Catal, 1, 2018
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3ZOP
| Arg90Cit chorismate mutase of Bacillus subtilis at 1.6 A resolution | Descriptor: | CHORISMATE MUTASE AROH | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | Deposit date: | 2013-02-22 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZP7
| Arg90Cit chorismate mutase of Bacillus subtilis in complex with chorismate and prephenate | Descriptor: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, CHORISMATE MUTASE AROH, PREPHENIC ACID | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | Deposit date: | 2013-02-26 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZP4
| Arg90Cit chorismate mutase of Bacillus subtilis in complex with a transition state analog | Descriptor: | 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHORISMATE MUTASE AROH | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | Deposit date: | 2013-02-26 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis. Proc.Natl.Acad.Sci.USA, 111, 2014
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3ZO8
| Wild-type chorismate mutase of Bacillus subtilis at 1.6 A resolution | Descriptor: | CHORISMATE MUTASE AROH | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | Deposit date: | 2013-02-20 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis. Proc.Natl.Acad.Sci.USA, 111, 2014
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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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4A2R
| Structure of the engineered retro-aldolase RA95.5-5 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-28 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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4A29
| Structure of the engineered retro-aldolase RA95.0 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, D-MALATE, ENGINEERED RETRO-ALDOL ENZYME RA95.0 | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-23 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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