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7TXV
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BU of 7txv by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 E82Q with ATP and 16x(Asp-Arg)
分子名称: 16x(Asp-Arg), ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ...
著者Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
登録日2022-02-09
公開日2022-06-01
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献A cryptic third active site in cyanophycin synthetase creates primers for polymerization
Nat Commun, 13, 2022
7TXU
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BU of 7txu by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ATP and 16x(Asp-Arg)
分子名称: 16x(Asp-Arg), ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ...
著者Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
登録日2022-02-09
公開日2022-06-01
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献A cryptic third active site in cyanophycin synthetase creates primers for polymerization
Nat Commun, 13, 2022
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2024-05-01
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
7A4F
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BU of 7a4f by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-1 (120-mer)
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2024-05-01
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
7A4H
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BU of 7a4h by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-2 (180-mer)
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2024-05-01
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
7A4G
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BU of 7a4g by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-1 (180-mer)
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2024-05-01
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
7A4I
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BU of 7a4i by Molmil
Aquifex aeolicus lumazine synthase-derived nucleocapsid variant NC-3
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2024-05-01
実験手法ELECTRON MICROSCOPY (7.04 Å)
主引用文献Evolution of a virus-like architecture and packaging mechanism in a repurposed bacterial protein.
Science, 372, 2021
6ZV9
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BU of 6zv9 by Molmil
Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W)
分子名称: 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE
著者Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C.
登録日2020-07-24
公開日2020-11-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 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
6Z4R
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BU of 6z4r by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 3-thienylalanine as axial heme ligand
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hilvert, D, Mittl, P.R.E.
登録日2020-05-25
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
6Z4T
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BU of 6z4t by Molmil
sperm whale myoglobin mutant (H64V V64A) bearing the non-canonical amino acid 2-Amino-3-(thiazol-5-yl)propanoic acid as axial heme ligand
分子名称: Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hilvert, D, Mittl, P.R.E.
登録日2020-05-25
公開日2021-04-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Noncanonical Heme Ligands Steer Carbene Transfer Reactivity in an Artificial Metalloenzyme*.
Angew.Chem.Int.Ed.Engl., 60, 2021
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
6F17
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BU of 6f17 by Molmil
Structure of Mb NMH H64V, V68A mutant resting state
分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2017-11-21
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
6F19
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BU of 6f19 by Molmil
Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 5 min
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2017-11-21
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
6F1A
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BU of 6f1a by Molmil
Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 20 min
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2017-11-21
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
6F18
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BU of 6f18 by Molmil
Structure of Mb NMH H64V, V68A mutant complex with EDA
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2017-11-21
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
6G5T
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BU of 6g5t by Molmil
Myoglobin H64V/V68A in the resting state, 1.5 Angstrom resolution
分子名称: 1,2-ETHANEDIOL, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2018-03-30
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
6G5A
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BU of 6g5a by Molmil
Heme-carbene complex in myoglobin H64V/V68A containing an N-methylhistidine as the proximal ligand, 1.48 angstrom resolution
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2018-03-29
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
6G5B
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BU of 6g5b by Molmil
Heme-carbene complex in myoglobin H64V/V68A containing an N-methylhistidine as the proximal ligand, 1.6 angstrom resolution
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2018-03-29
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
3ZOP
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BU of 3zop by Molmil
Arg90Cit chorismate mutase of Bacillus subtilis at 1.6 A resolution
分子名称: CHORISMATE MUTASE AROH
著者Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U.
登録日2013-02-22
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
3ZP7
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BU of 3zp7 by Molmil
Arg90Cit chorismate mutase of Bacillus subtilis in complex with chorismate and prephenate
分子名称: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, CHORISMATE MUTASE AROH, PREPHENIC ACID
著者Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U.
登録日2013-02-26
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
3ZP4
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BU of 3zp4 by Molmil
Arg90Cit chorismate mutase of Bacillus subtilis in complex with a transition state analog
分子名称: 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, CHORISMATE MUTASE AROH
著者Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U.
登録日2013-02-26
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
3ZO8
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BU of 3zo8 by Molmil
Wild-type chorismate mutase of Bacillus subtilis at 1.6 A resolution
分子名称: CHORISMATE MUTASE AROH
著者Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U.
登録日2013-02-20
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
3UD6
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BU of 3ud6 by Molmil
Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION
著者Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D.
登録日2011-10-27
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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
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

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