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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
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
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
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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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
5D3U
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Crystal structure of the 5-selective H176F mutant of Cytochrome TxtE
Descriptor: CHLORIDE ION, GLYCEROL, P450-like protein, ...
Authors:Cahn, J.K.B, Dodani, S.C, Arnold, F.H.
Deposit date:2015-08-06
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Nat.Chem., 8, 2016
5D40
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Crystal structure of the 5-selective H176Y mutant of Cytochrome TxtE
Descriptor: CHLORIDE ION, GLYCEROL, P450-like protein, ...
Authors:Cahn, J.K.B, Dodani, S.C, Arnold, F.H.
Deposit date:2015-08-06
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models.
Nat.Chem., 8, 2016
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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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
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
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
5DW0
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BU of 5dw0 by Molmil
TrpB from Pyrococcus furiosus with L-serine bound as the external aldimine
Descriptor: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Buller, A.R, Arnold, F.H.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5DW3
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BU of 5dw3 by Molmil
Tryptophan Synthase beta-subunit from Pyrococcus furiosus with product L-tryptophan non-covalently bound in the active site
Descriptor: PHOSPHATE ION, SODIUM ION, TRYPTOPHAN, ...
Authors:Buller, A.R, Arnold, F.H.
Deposit date:2015-09-22
Release date:2015-11-11
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5E4R
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BU of 5e4r by Molmil
Crystal structure of domain-duplicated synthetic class II ketol-acid reductoisomerase 2Ia_KARI-DD
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Ketol-acid reductoisomerase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Buller, A.R, Arnold, F.H.
Deposit date:2015-10-07
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Artificial domain duplication replicates evolutionary history of ketol-acid reductoisomerases.
Protein Sci., 25, 2016
5DVZ
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BU of 5dvz by Molmil
Holo TrpB from Pyrococcus furiosus
Descriptor: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
Authors:Buller, A.R, Arnold, F.H.
Deposit date:2015-09-21
Release date:2016-02-03
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
5E0K
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BU of 5e0k by Molmil
X-ray crystal structure of tryptophan synthase complex from Pyrococcus furiosus at 2.76 A
Descriptor: PHOSPHATE ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain 1
Authors:Buller, A.R, Murciano-Calles, J, Arnold, F.H.
Deposit date:2015-09-29
Release date:2015-11-11
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Directed evolution of the tryptophan synthase beta-subunit for stand-alone function recapitulates allosteric activation.
Proc.Natl.Acad.Sci.USA, 112, 2015
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
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
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
5BR4
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BU of 5br4 by Molmil
E. coli lactaldehyde reductase (FucO) M185C mutant
Descriptor: CHLORIDE ION, GLYCEROL, Lactaldehyde reductase, ...
Authors:Cahn, J.K.B, Brinkmann-Chen, S, Arnold, F.H.
Deposit date:2015-05-29
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Mutations in adenine-binding pockets enhance catalytic properties of NAD(P)H-dependent enzymes.
Protein Eng.Des.Sel., 29, 2016
5BV5
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BU of 5bv5 by Molmil
Structure of CYP119 with T213A and C317H mutations
Descriptor: 4-PHENYL-1H-IMIDAZOLE, Cytochrome P450 119, PHOSPHATE ION, ...
Authors:Buller, A.R, Heel, T, McIntosh, J.A, Arnold, F.H.
Deposit date:2015-06-04
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Adaptability Facilitates Histidine Heme Ligation in a Cytochrome P450.
J.Am.Chem.Soc., 137, 2015

 

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