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4IHD
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BU of 4ihd by Molmil
Crystal Structure of Uncleaved ThnT T282C, derivatized at the active site with EtHg
Descriptor: ETHYL MERCURY ION, ThnT protein
Authors:Buller, A.R, Schildbach, J.F, Townsend, C.A.
Deposit date:2012-12-18
Release date:2014-08-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Exploring the Role of Conformational Heterogeneity in cis-Autoproteolytic Activation of ThnT.
Biochemistry, 53, 2014
4IHE
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BU of 4ihe by Molmil
Crystal Structure of Uncleaved ThnT T282A
Descriptor: ThnT protein
Authors:Buller, A.R, Schildbach, J.F, Townsend, C.A.
Deposit date:2012-12-18
Release date:2014-08-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Exploring the Role of Conformational Heterogeneity in cis-Autoproteolytic Activation of ThnT.
Biochemistry, 53, 2014
6AMH
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BU of 6amh by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11 with Ser bound as E(Aex1)
Descriptor: SODIUM ION, Tryptophan synthase beta chain 1, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
Authors:Buller, A.R.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
6AM7
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BU of 6am7 by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9
Descriptor: PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1
Authors:Buller, A.R, van Roye, P.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
6AMC
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BU of 6amc by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11
Descriptor: SODIUM ION, Tryptophan synthase beta chain 1
Authors:Buller, A.R, Herger, M.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
6AMI
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BU of 6ami by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB4D11 with Trp non-covalently bound
Descriptor: SODIUM ION, TRYPTOPHAN, Tryptophan synthase beta chain 1
Authors:Buller, A.R.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
6AM9
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BU of 6am9 by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9, with Ser-bound in a predominantly closed state.
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, SODIUM ION, Tryptophan synthase beta chain 1, ...
Authors:Buller, A.R, van Roye, P.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
6AM8
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BU of 6am8 by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9 with Trp bound as E(Aex2)
Descriptor: SODIUM ION, TRYPTOPHAN, Tryptophan synthase beta chain 1, ...
Authors:Buller, A.R, van Roye, P.
Deposit date:2017-08-09
Release date:2018-05-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
5T6M
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BU of 5t6m by Molmil
Structure of the tryptophan synthase b-subunit from Pyroccus furiosus with b-methyltryptophan non-covalently bound
Descriptor: (betaS)-beta-methyl-L-tryptophan, PHOSPHATE ION, SODIUM ION, ...
Authors:Buller, A.R, van Roye, P, Arnold, F.H.
Deposit date:2016-09-01
Release date:2016-12-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Tryptophan Synthase Uses an Atypical Mechanism To Achieve Substrate Specificity.
Biochemistry, 55, 2016
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
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
5VM5
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BU of 5vm5 by Molmil
Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9, with Ser bound
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, SODIUM ION, Tryptophan synthase beta chain 1, ...
Authors:Buller, A.R, van Roye, P.
Deposit date:2017-04-26
Release date:2017-05-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
8SF5
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BU of 8sf5 by Molmil
Promiscuous amino acid gamma synthase from Caldicellulosiruptor hydrothermalis in open conformation
Descriptor: O-acetylhomoserine/O-acetylserine sulfhydrylase
Authors:Buller, A.R, Zmich, A.P, Bingman, C.A.
Deposit date:2023-04-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Multiplexed Assessment of Promiscuous Non-Canonical Amino Acid Synthase Activity in a Pyridoxal Phosphate-Dependent Protein Family.
Acs Catalysis, 13, 2023
8SF6
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BU of 8sf6 by Molmil
Promiscuous amino acid gamma synthase from Caldicellulosiruptor hydrothermalis in closed conformation
Descriptor: 2-(2-ETHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Buller, A.R, Zmich, A.P, Bingman, C.A.
Deposit date:2023-04-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Multiplexed Assessment of Promiscuous Non-Canonical Amino Acid Synthase Activity in a Pyridoxal Phosphate-Dependent Protein Family.
Acs Catalysis, 13, 2023
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
3S3U
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BU of 3s3u by Molmil
Crystal Structure of Uncleaved ThnT T282C
Descriptor: cysteine transferase
Authors:Schildbach, J.F, Wright, N.T, Buller, A.R.
Deposit date:2011-05-18
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into cis-autoproteolysis reveal a reactive state formed through conformational rearrangement.
Proc.Natl.Acad.Sci.USA, 109, 2012
3TM2
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BU of 3tm2 by Molmil
Crystal structure of mature ThnT with a covalently bound product mimic
Descriptor: (2R)-N-(4-chloro-3-oxobutyl)-2,4-dihydroxy-3,3-dimethylbutanamide, cysteine transferase
Authors:Schildbach, J.F, Wright, N.T, Buller, A.R.
Deposit date:2011-08-30
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis.
J.Mol.Biol., 422, 2012
3TM1
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BU of 3tm1 by Molmil
Crystal structure of mature ThnT, a pantetheine hydrolase
Descriptor: GLYCEROL, cysteine transferase
Authors:Schildbach, J.F, Wright, N.T, Buller, A.R.
Deposit date:2011-08-30
Release date:2012-07-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Autoproteolytic Activation of ThnT Results in Structural Reorganization Necessary for Substrate Binding and Catalysis.
J.Mol.Biol., 422, 2012
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
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
7K34
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BU of 7k34 by Molmil
Crystal structure of L-threonine transaldolase from Pseudomonas fluorescens in internal aldimine state
Descriptor: SULFATE ION, Threonine aldolase
Authors:Kumar, P, Bingman, C.A, Buller, A.R.
Deposit date:2020-09-10
Release date:2020-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:l-Threonine Transaldolase Activity Is Enabled by a Persistent Catalytic Intermediate.
Acs Chem.Biol., 16, 2021
7N2T
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BU of 7n2t by Molmil
O-acetylserine sulfhydrylase from Citrullus vulgaris in the internal aldimine state, with citrate bound
Descriptor: CITRIC ACID, Cysteine synthase, PENTAETHYLENE GLYCOL, ...
Authors:Smith, J.L, Buller, A.R, Bingman, C.A.
Deposit date:2021-05-29
Release date:2022-07-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Investigation of beta-Substitution Activity of O-Acetylserine Sulfhydrolase from Citrullus vulgaris.
Chembiochem, 23, 2022
7MKV
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BU of 7mkv by Molmil
Engineered PLP-dependent decarboxylative aldolase from Aspergillus flavus, UstD2.0, bound as the internal aldimine
Descriptor: Cysteine desulfurase-like protein ustD
Authors:Ellis, J.M, Buller, A.R, Bingman, C.A.
Deposit date:2021-04-27
Release date:2022-05-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Biocatalytic synthesis of non-standard amino acids by a decarboxylative aldol reaction
Nat Catal, 5, 2022

 

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