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4QPZ
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BU of 4qpz by Molmil
Crystal structure of the formolase FLS_v2 in space group P 21
Descriptor: Formolase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Shen, B.W, Siegel, J.B, Stoddard, B.L, Baker, D.
Deposit date:2014-06-25
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
4QQ8
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BU of 4qq8 by Molmil
Crystal structure of the formolase FLS in space group P 43 21 2
Descriptor: 1,2-ETHANEDIOL, Formolase, MAGNESIUM ION, ...
Authors:Shen, B.W, Siegel, J.B, Stoddard, B.L.
Deposit date:2014-06-26
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Computational protein design enables a novel one-carbon assimilation pathway.
Proc.Natl.Acad.Sci.USA, 112, 2015
6D9F
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BU of 6d9f by Molmil
Protein 60 with aldehyde deformylating oxidase activity from Kitasatospora setae
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Putative VlmB homolog, ...
Authors:Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2018-04-28
Release date:2019-05-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery, Design, and Structural Characterization of Alkane-Producing Enzymes across the Ferritin-like Superfamily.
Biochemistry, 59, 2020
8FHB
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BU of 8fhb by Molmil
Protein 32 with aldehyde deformylating oxidase activity from Synechococcus sp.
Descriptor: FE (III) ION, tRNA-(MS[2]IO[6]A)-hydroxylase
Authors:Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Protein 32 with aldehyde deformylating oxidase activity from Synechococcus sp.
To Be Published
8FHC
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BU of 8fhc by Molmil
Protein 41 with aldehyde deformylating oxidase activity from Gamma proteobacterium
Descriptor: BROMIDE ION, CHOLIC ACID, FE (III) ION, ...
Authors:Arenas, R, Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2022-12-13
Release date:2023-12-20
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Protein 41 with aldehyde deformylating oxidase activity from Gamma proteobacterium
To Be Published
5UX1
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BU of 5ux1 by Molmil
Protein 43 with aldehyde deformylating oxygenase activity from Synechococcus
Descriptor: FE (III) ION, tRNA-(MS(2)IO(6)A)-hydroxylase-like
Authors:Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2017-02-21
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein 43 with aldehyde deformylating oxygenase activity from Synechococcus
To Be Published
5UXI
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BU of 5uxi by Molmil
Protein 4 with aldehyde deformylating oxygenase activity from Nostoc puntiforme
Descriptor: Aldehyde decarbonylase, DECYLAMINE-N,N-DIMETHYL-N-OXIDE
Authors:Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2017-02-22
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein 4 with aldehyde deformylating oxygenase activity from Nostoc puntiforme
To Be Published
5UX2
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BU of 5ux2 by Molmil
Protein 19 with aldehyde deformylating oxidase activity from Synechococcus
Descriptor: Aldehyde decarbonylase, FE (III) ION, PROPANOIC ACID
Authors:Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2017-02-21
Release date:2018-02-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Protein 19 with aldehyde deformylating oxidase activity from Synechococcus
To Be Published
5UXG
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BU of 5uxg by Molmil
Protein 84 with aldehyde deformylating oxygenase activity from Sulfolobus tokodaii (monoclinic)
Descriptor: PHOSPHATE ION, aldehyde deformylating oxygenase
Authors:Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2017-02-22
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Protein 84 with aldehyde deformylating oxygenase activity from Sulfolobus tokodaii (monoclinic)
To Be Published
5V4T
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BU of 5v4t by Molmil
Protein 84 with aldehyde deformylating oxygenase activity from Sulfolobus tokodaii (orthorhombic form)
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, hypothetic aldehyde deformylating oxygenase
Authors:Wilson, D.K, Mak, W.S, Siegel, J.B.
Deposit date:2017-03-10
Release date:2018-03-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Protein 84 with aldehyde deformylating oxygenase activity from Sulfolobus tokodaii (orthorhombic form)
To Be Published
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Descriptor: Diisopropyl-fluorophosphatase, GLYCEROL
Authors:Lambert, A.R, Stoddard, B.L.
Deposit date:2009-06-26
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
3U0S
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BU of 3u0s by Molmil
Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diisopropyl-fluorophosphatase, GLYCEROL, ...
Authors:Bale, J.B, Shen, B.W, Stoddard, B.L.
Deposit date:2011-09-29
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Nat.Biotechnol., 30, 2012
6VPT
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BU of 6vpt by Molmil
Crystal structure and mechanistic molecular modeling studies of Rv3377c: the Mycobacterium tuberculosis diterpene cyclase
Descriptor: Cyclase
Authors:Zhang, T, Prach, L, DiMaio, F, Siegel, J.
Deposit date:2020-02-04
Release date:2020-12-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.718 Å)
Cite:Crystal Structure and Mechanistic Molecular Modeling Studies of Mycobacterium tuberculosis Diterpene Cyclase Rv3377c.
Biochemistry, 59, 2020
7T1J
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BU of 7t1j by Molmil
Crystal structure of RUBISCO from Rhodospirillaceae bacterium BRH_c57
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase
Authors:Pereira, J.H, Liu, A.K, Shih, P.M, Adams, P.D.
Deposit date:2021-12-02
Release date:2022-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural plasticity enables evolution and innovation of RuBisCO assemblies.
Sci Adv, 8, 2022
7T1C
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BU of 7t1c by Molmil
Crystal structure of RUBISCO from Sulfurivirga caldicuralii
Descriptor: Ribulose-bisphosphate carboxylase
Authors:Pereira, J.H, Liu, A.K, Shih, P.M, Adams, P.D.
Deposit date:2021-12-01
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structural plasticity enables evolution and innovation of RuBisCO assemblies.
Sci Adv, 8, 2022
4O5T
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BU of 4o5t by Molmil
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
4O5S
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BU of 4o5s by Molmil
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:2023-11-08
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, 111, 2014
5UWZ
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BU of 5uwz by Molmil
Protein 12 with aldehyde deformylating oxygenase activity from Gloeobacter violaceus
Descriptor: 1,2-ETHANEDIOL, Aldehyde decarbonylase, STEARIC ACID
Authors:Wilson, D.K.
Deposit date:2017-02-21
Release date:2018-02-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Protein 12 with aldehyde deformylating oxygenase activity from Gloeobacter violaceus
To Be Published
4F5J
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BU of 4f5j by Molmil
Rational Design and Directed Evolution for Conversion of Substrate Specificity from E.coli Aspartate Aminotransferase to Tyrosine Aminotransferase: Mutant P5.
Descriptor: Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.954 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4F5F
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BU of 4f5f by Molmil
Structure of Aspartate Aminotransferase Conversion to Tyrosine Aminotransferase: Chimera P1.
Descriptor: Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4F5M
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BU of 4f5m by Molmil
Wild-Type E. coli Aspartate Aminotransferase: A Template For The Interconversion of Substrate Specificity and Activity To Tyrosine Aminotransferase By The JANUS Algorithm.
Descriptor: 1,2-ETHANEDIOL, Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4F5I
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BU of 4f5i by Molmil
Substrate Specificity Conversion of E. coli Pyridoxal-5'-Phosphate Dependent Aspartate Aminotransferase to Tyrosine Aminotransferase: Chimera P4.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4F5H
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BU of 4f5h by Molmil
Intercoversion of Substrate Specificity: E. coli Aspatate Aminotransferase to Tyrosine Aminotransferase: Chimera P3.
Descriptor: Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013
4F5L
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BU of 4f5l by Molmil
A Theoretical Optimized Mutant for the Conversion of Substrate Specificity and Activity of Aspartate Aminotransferase to Tyrosine Aminotransferase: Chimera P7.
Descriptor: 1,2-ETHANEDIOL, Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-05-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Janus: an algorithm for ranking functional importance of residues from protein sequence alignments.
To be Published
4F5G
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BU of 4f5g by Molmil
Rational Design and Directed Evolution of E. coli Apartate Aminotransferase to Tyrosine Aminotransferase: Mutant P2.
Descriptor: Aspartate aminotransferase
Authors:Addington, T.A, Fisher, A.J, Toney, M.D.
Deposit date:2012-05-13
Release date:2013-02-13
Last modified:2013-04-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Janus: prediction and ranking of mutations required for functional interconversion of enzymes.
J.Mol.Biol., 425, 2013

 

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