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8AH9
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BU of 8ah9 by Molmil
De novo retro-aldolase RAbetaB-16.1
Descriptor: BENZOIC ACID, RAbetaB-16.1
Authors:Mittl, P, Oualb Chaib, A, Hilvert, D.
Deposit date:2022-07-21
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.747 Å)
Cite:Design and optimization of enzymatic activity in a de novo beta-barrel scaffold.
Protein Sci., 31, 2022
8QBA
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BU of 8qba by Molmil
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
8QBC
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BU of 8qbc by Molmil
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
1FNK
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BU of 1fnk by Molmil
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
1FNJ
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BU of 1fnj by Molmil
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
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
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
6NW4
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BU of 6nw4 by Molmil
Evolution of a computationally designed Kemp eliminase
Descriptor: 6-NITROBENZOTRIAZOLE, Indole-3-glycerol phosphate synthase, SULFATE ION
Authors:Bunzel, A, Mittl, P, Hilvert, D.
Deposit date:2019-02-06
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Emergence of a Negative Activation Heat Capacity during Evolution of a Designed Enzyme.
J.Am.Chem.Soc., 141, 2019
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
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
5AOU
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BU of 5aou by Molmil
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
1SEL
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BU of 1sel by Molmil
CRYSTAL STRUCTURE OF SELENOSUBTILISIN AT 2.0-ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, SELENOSUBTILISIN
Authors:Syed, R, Hogle, J.M, Hilvert, D.
Deposit date:1993-01-17
Release date:1993-10-31
Last modified:2013-12-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of selenosubtilisin at 2.0-A resolution.
Biochemistry, 32, 1993
1UBN
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BU of 1ubn by Molmil
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
6WXP
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BU of 6wxp by Molmil
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:2024-03-06
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
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
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:2024-03-06
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
6G5T
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BU of 6g5t by Molmil
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
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
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
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
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
7YWJ
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BU of 7ywj by Molmil
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
7YWK
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BU of 7ywk by Molmil
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
1FIG
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BU of 1fig by Molmil
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
7TXV
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BU of 7txv by Molmil
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
7TXU
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BU of 7txu by Molmil
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
7LGQ
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BU of 7lgq by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ATP and 8x(Asp-Arg)-Asn
Descriptor: 8x(Asp-Arg)-Asn, ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
7LGJ
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BU of 7lgj by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ADPCP and 8x(Asp-Arg)-NH2
Descriptor: 8x(Asp-Arg)-NH2, Cyanophycin synthase, MAGNESIUM ION, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
5MPP
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BU of 5mpp by Molmil
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
5MQ7
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BU of 5mq7 by Molmil
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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PDB entries from 2024-03-27

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