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PDB: 53 results

4I5U
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BU of 4i5u by Molmil
Crystal structure of a fungal chimeric cellobiohydrolase Cel6A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Chimeric cel6A, ...
Authors:Arnold, F.H, Wu, I.
Deposit date:2012-11-29
Release date:2013-04-03
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Engineered thermostable fungal Cel6A and Cel7A cellobiohydrolases hydrolyze cellulose efficiently at elevated temperatures.
Biotechnol.Bioeng., 110, 2013
4I5R
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BU of 4i5r by Molmil
Crystal structure of a fungal chimeric cellobiohydrolase Cel6A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Chimeric cel6A, ...
Authors:Arnold, F.H, Wu, I.
Deposit date:2012-11-28
Release date:2013-04-03
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineered thermostable fungal Cel6A and Cel7A cellobiohydrolases hydrolyze cellulose efficiently at elevated temperatures.
Biotechnol.Bioeng., 110, 2013
4WG2
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BU of 4wg2 by Molmil
P411BM3-CIS T438S I263F regioselective C-H amination catalyst
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Hyster, T.K, Farwell, C.C, Buller, A.R, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-09-17
Release date:2014-11-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Enzyme-controlled nitrogen-atom transfer enables regiodivergent C-h amination.
J.Am.Chem.Soc., 136, 2014
8EGY
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BU of 8egy by Molmil
Engineered holo tyrosine synthase (TmTyrS1) derived from T. maritima TrpB
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Noncanonical L-tyrosine synthesis by evolved tryptophan synthases
To Be Published
8EH1
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BU of 8eh1 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Noncanonical L-tyrosine synthesis by evolved tryptophan synthases
To Be Published
8EGZ
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BU of 8egz by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
Descriptor: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Noncanonical L-tyrosine synthesis by evolved tryptophan synthases
To Be Published
8EH0
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BU of 8eh0 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide
Descriptor: 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Noncanonical L-tyrosine synthesis by evolved tryptophan synthases
To Be Published
4XDZ
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BU of 4xdz by Molmil
Holo structure of ketol-acid reductoisomerase from Ignisphaera aggregans
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Ketol-acid reductoisomerase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2014-12-20
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4XDY
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BU of 4xdy by Molmil
Structure of NADH-preferring ketol-acid reductoisomerase from an uncultured archean
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Ketol-acid reductoisomerase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2014-12-20
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.535 Å)
Cite:Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
4XEH
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BU of 4xeh by Molmil
Apo structure of KARI from Ignisphaera aggregans
Descriptor: Ketol-acid reductoisomerase
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2014-12-23
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
8DSG
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BU of 8dsg by Molmil
P411-PFA carbene transferase
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450-BM3 variant P411-PFA, ...
Authors:Maggiolo, A.O, Porter, N.J, Zhang, J, Arnold, F.H.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Chemodivergent C(sp3)-H and C(sp2)-H cyanomethylation using engineered carbene transferases
Nat Catal, 6, 2023
4XIY
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BU of 4xiy by Molmil
Crystal structure of ketol-acid reductoisomerase from Azotobacter
Descriptor: DI(HYDROXYETHYL)ETHER, FE (III) ION, Ketol-acid reductoisomerase, ...
Authors:Spatzal, T, Cahn, J.K.B, Wiig, J.A, Einsle, O, Hu, Y, Ribbe, M.W, Arnold, F.H.
Deposit date:2015-01-07
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Biochem.J., 468, 2015
5IXJ
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BU of 5ixj by Molmil
Tryptophan Synthase beta-subunit from Pyrococcus furiosus with L-threonine non-covalently bound in the active site
Descriptor: SODIUM ION, THREONINE, Tryptophan synthase beta chain 1
Authors:Buller, A.R, Herger, M, Arnold, F.H.
Deposit date:2016-03-23
Release date:2016-08-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Synthesis of beta-Branched Tryptophan Analogues Using an Engineered Subunit of Tryptophan Synthase.
J.Am.Chem.Soc., 138, 2016
4TPO
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BU of 4tpo by Molmil
High-resolution structure of TxtE with bound tryptophan substrate
Descriptor: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450-like protein, ...
Authors:Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-06-08
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.225 Å)
Cite:Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4TPN
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BU of 4tpn by Molmil
High-resolution structure of TxtE in the absence of substrate
Descriptor: GLYCEROL, LITHIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Cahn, J.K.B, Dodani, S.C, Brinkmann-Chen, S, Heinsich, T, McIntosh, J.A, Arnold, F.H.
Deposit date:2014-06-08
Release date:2014-09-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Structural, Functional, and Spectroscopic Characterization of the Substrate Scope of the Novel Nitrating Cytochrome P450 TxtE.
Chembiochem, 15, 2014
4TSK
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BU of 4tsk by Molmil
Ketol-acid reductoisomerase from Alicyclobacillus acidocaldarius
Descriptor: Ketol-acid reductoisomerase, L(+)-TARTARIC ACID, MAGNESIUM ION, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2014-06-18
Release date:2014-07-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Uncovering rare NADH-preferring ketol-acid reductoisomerases.
Metab. Eng., 26C, 2014
6WK3
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BU of 6wk3 by Molmil
Engineered carbene transferase RmaNOD Q52V, putative nitric oxide dioxygenase from Rhodothermus marinus
Descriptor: ACETATE ION, COPPER (II) ION, Nitric oxide dioxygenase, ...
Authors:Knight, A.M, Arnold, F.H.
Deposit date:2020-04-15
Release date:2020-07-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks.
Acs Catalysis, 10, 2020
6CUZ
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BU of 6cuz by Molmil
Engineered TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3R)-ethylserine bound as the amino-acrylate
Descriptor: (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid, PHOSPHATE ION, SODIUM ION, ...
Authors:Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H.
Deposit date:2018-03-27
Release date:2018-09-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
6CUT
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BU of 6cut by Molmil
Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 with (2S,3S)-isopropylserine bound as the external aldimine
Descriptor: (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name), SODIUM ION, Tryptophan synthase beta chain 1
Authors:Boville, C.E, Scheele, R.A, Buller, A.R, Arnold, F.H.
Deposit date:2018-03-26
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
3QI8
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BU of 3qi8 by Molmil
Evolved variant of cytochrome P450 (BM3, CYP102A1)
Descriptor: Evolved Cytochrome P450 variant (22A3), PROTOPORPHYRIN IX CONTAINING FE
Authors:Rentmeister, A, Brown, T.R, Snow, C.D, Carbone, M.N, Arnold, F.H.
Deposit date:2011-01-26
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Engineered Bacterial Mimics of Human Drug Metabolizing Enzyme CYP2C9
Chemcatchem, 2011
3QR3
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BU of 3qr3 by Molmil
Crystal Structure of Cel5A (EG2) from Hypocrea jecorina (Trichoderma reesei)
Descriptor: Endoglucanase EG-II, MAGNESIUM ION, SULFATE ION
Authors:Lee, T.M, Farrow, M.F, Kaiser, J.T, Arnold, F.H, Mayo, S.L.
Deposit date:2011-02-16
Release date:2011-11-02
Last modified:2012-06-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A structural study of Hypocrea jecorina Cel5A.
Protein Sci., 20, 2011
4DU2
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BU of 4du2 by Molmil
cytochrome P450 BM3h-B7 MRI sensor bound to dopamine
Descriptor: L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant B7
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4DTZ
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BU of 4dtz by Molmil
cytochrome P450 BM3h-8C8 MRI sensor bound to dopamine
Descriptor: L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4DUF
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BU of 4duf by Molmil
cytochrome P450 BM3h-2G9 MRI sensor bound to serotonin
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SEROTONIN, cytochrome P450 BM3 variant 2G9
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
4DUB
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BU of 4dub by Molmil
cytochrome P450 BM3h-9D7 MRI sensor bound to dopamine
Descriptor: L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 9D7
Authors:Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H.
Deposit date:2012-02-21
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012

 

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