Author results

1FNJ
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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:2017-10-04
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
1FNK
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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:2017-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
3UD6
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STRUCTURAL ANALYSES OF COVALENT ENZYME-SUBSTRATE ANALOGUE COMPLEXES REVEAL STRENGTHS AND LIMITATIONS OF DE NOVO ENZYME DESIGN
Descriptor:RETRO-ALDOLASE, 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, 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:2013-11-20
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
3ZO8
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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:2014-12-24
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
3ZOP
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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:2014-12-24
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
3ZP4
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ARG90CIT CHORISMATE MUTASE OF BACILLUS SUBTILIS IN COMPLEX WITH A TRANSITION STATE ANALOG
Descriptor:CHORISMATE MUTASE AROH, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC 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:2014-12-24
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
3ZP7
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ARG90CIT CHORISMATE MUTASE OF BACILLUS SUBTILIS IN COMPLEX WITH CHORISMATE AND PREPHENATE
Descriptor:CHORISMATE MUTASE AROH, PREPHENIC ACID, (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic 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:2014-12-24
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
4A29
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STRUCTURE OF THE ENGINEERED RETRO-ALDOLASE RA95.0
Descriptor:ENGINEERED RETRO-ALDOL ENZYME RA95.0, 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, D-MALATE
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:2013-07-31
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
4A2R
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STRUCTURE OF THE ENGINEERED RETRO-ALDOLASE RA95.5-5
Descriptor:INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE
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:2013-07-31
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
4A2S
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STRUCTURE OF THE ENGINEERED RETRO-ALDOLASE RA95.5
Descriptor:INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE
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:2013-07-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Evolution of a Designed Retro-Aldolase Leads to Complete Active Site Remodeling
Nat.Chem.Biol., 9, 2013
4CDL
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CRYSTAL STRUCTURE OF RETRO-ALDOLASE RA110.4-6 COMPLEXED WITH INHIBITOR 1-(6-METHOXY-2-NAPHTHALENYL)-1,3-BUTANEDIONE
Descriptor:STEROID DELTA-ISOMERASE, (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one
Authors:Pinkas, D.M., Studer, S., Obexer, R., Giger, L., Gruetter, M.G., Baker, D., Hilvert, D.
Deposit date:2013-11-01
Release date:2014-11-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Active Site Plasticity of a Computationally Designed Retro-Aldolase Enzyme
To be Published
4JXI
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DIRECTED EVOLUTION AND RATIONAL DESIGN OF A DE NOVO DESIGNED ESTERASE TOWARD IMPROVED CATALYSIS. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) TARGET OR184
Descriptor:design cystein esterase, 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
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
5MPP
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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:2018-10-17
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structure and assembly of scalable porous protein cages.
Nat Commun, 8, 2017
5MQ3
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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
5MQ7
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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
5N81
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CRYSTAL STRUCTURE OF AN ENGINEERED TYCA VARIANT IN COMPLEX WITH AN O-PROPARGYL-BETA-TYR-AMP ANALOG
Descriptor:Tyrocidine synthase 1, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(4-prop-2-ynoxyphenyl)propanoyl]sulfamate, SULFATE ION, ...
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:2018-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nonribosomal biosynthesis of backbone-modified peptides.
Nat Chem, 10, 2018
5N82
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CRYSTAL STRUCTURE OF AN ENGINEERED TYCA VARIANT IN COMPLEX WITH AN BETA-PHE-AMP ANALOG
Descriptor:Tyrocidine synthase 1, SULFATE ION, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
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:2018-02-28
Method:X-RAY DIFFRACTION (1.708 Å)
Cite:Nonribosomal biosynthesis of backbone-modified peptides.
Nat Chem, 10, 2018
1UBN
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SELENOSUBTILISIN BPN
Descriptor:PROTEIN (SELENOSUBTILISIN BPN), CALCIUM ION
Authors:McRee, D.E., McTigue, M., Hilvert, D.
Deposit date:1999-06-02
Release date:1999-06-08
Last modified:2011-07-13
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
4O5S
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CRYSTAL STRUCTURE OF DIELS-ALDERASE CE11
Descriptor:Diisopropyl-fluorophosphatase
Authors:Beck, T., Preiswerk, N., Mayer, C., Hilvert, D.
Deposit date:2013-12-20
Release date:2014-06-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Impact of scaffold rigidity on the design and evolution of an artificial Diels-Alderase
Proc.Natl.Acad.Sci.USA, 2014
4O5T
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CRYSTAL STRUCTURE OF DIELS-ALDERASE CE20 IN COMPLEX WITH A PRODUCT ANALOG
Descriptor:Diisopropyl-fluorophosphatase, 4-{[2-(phosphonooxy)ethyl]carbamoyl}benzyl [(1R,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamate
Authors:Beck, T., Preiswerk, N., Mayer, C., Hilvert, D.
Deposit date:2013-12-20
Release date:2014-06-04
Last modified:2017-11-22
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, 2014
5AN7
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STRUCTURE OF THE ENGINEERED RETRO-ALDOLASE RA95.5-8F WITH A BOUND 1,3-DIKETONE INHIBITOR
Descriptor:RA95.5-8F, PHOSPHATE ION, (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one
Authors:Obexer, R., Mittl, P.R.E., Hilvert, D.
Deposit date:2015-09-04
Release date:2016-08-17
Last modified:2017-03-01
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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STRUCTURE OF THE ENGINEERED RETRO-ALDOLASE RA95.5-8F APO
Descriptor:INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE, 1,2-ETHANEDIOL, PHOSPHATE ION
Authors:Obexer, R., Mittl, P., Hilvert, D.
Deposit date:2015-09-11
Release date:2016-08-17
Last modified:2017-03-01
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
6F17
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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
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
6F18
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STRUCTURE OF MB NMH H64V, V68A MUTANT COMPLEX WITH EDA
Descriptor:Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ETHYL ACETATE
Authors:Tinzl, M., Hayashi, T., Mori, T., Hilvert, D.
Deposit date:2017-11-21
Release date:2018-08-22
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
6F19
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STRUCTURE OF MB NMH H64V, V68A MUTANT COMPLEX WITH EDA INCUBATED AT ROOM TEMPERATURE FOR 5 MIN
Descriptor:Myoglobin, ETHYL ACETATE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Tinzl, M., Hayashi, T., Mori, T., Hilvert, D.
Deposit date:2017-11-21
Release date:2018-08-22
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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