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6B2F
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BU of 6b2f by Molmil
Phosphotriesterase variant S5 + TS analogue
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-09-20
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.775 Å)
Cite:Phosphotriesterase variant S5 + TS analogue
To Be Published
6BH7
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BU of 6bh7 by Molmil
Phosphotriesterase variant R18+254S
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-10-30
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphotriesterase variant R18+254S
To Be Published
6BHK
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BU of 6bhk by Molmil
Phosphotriesterase variant R18deltaL7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Phosphotriesterase, ZINC ION
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-10-30
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphotriesterase variant R18deltaL7
To Be Published
6BM9
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BU of 6bm9 by Molmil
Directed evolutionary changes in MBL super family - VIM-2 Round 10
Descriptor: GLYCEROL, Metallo-beta-lactamase, ZINC ION
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D.
Deposit date:2017-11-13
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes.
Elife, 8, 2019
6BHL
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BU of 6bhl by Molmil
Phosphotriesterase variant S5deltaL7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-10-30
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphotriesterase variant S5deltaL7
To Be Published
8VRG
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BU of 8vrg by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines
Descriptor: Peptidyl-prolyl cis-trans isomerase B
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2024-01-22
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
8VRH
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BU of 8vrh by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2024-01-22
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
8VRI
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BU of 8vri by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ...
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2024-01-22
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024
8UPI
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BU of 8upi by Molmil
Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine
Descriptor: 1,2-ETHANEDIOL, AMINOSERINE, CALCIUM ION, ...
Authors:Frkic, R.L, Smith, O.B, Rahman, M, Kaczmarski, J.A, Jackson, C.J.
Deposit date:2023-10-22
Release date:2023-11-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Identification and Characterization of a Bacterial Periplasmic Solute Binding Protein That Binds l-Amino Acid Amides.
Biochemistry, 63, 2024
8UQZ
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BU of 8uqz by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase Bound to Gadolinium(III) Measured at 9.5 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, GADOLINIUM ION, ...
Authors:Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
Deposit date:2023-10-25
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
8UQX
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BU of 8uqx by Molmil
Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18
Authors:Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
Deposit date:2023-10-25
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
8UQY
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BU of 8uqy by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ...
Authors:Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
Deposit date:2023-10-25
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
8UQW
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BU of 8uqw by Molmil
Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 13 keV
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18
Authors:Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
Deposit date:2023-10-25
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
5HMD
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BU of 5hmd by Molmil
Crystal structure of triazine hydrolase variant (Y215H/E241Q)
Descriptor: Triazine hydrolase, ZINC ION
Authors:Sugrue, E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-16
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Biochemistry, 55, 2016
5HIF
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BU of 5hif by Molmil
Crystal structure of a reconstructed lactonase ancestor, Anc1-MPH, of the bacterial methyl parathion hydrolase, MPH.
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
Authors:Baier, F, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-11
Release date:2017-02-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:to be published
To Be Published
5HPQ
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BU of 5hpq by Molmil
Crystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
Descriptor: ACETATE ION, Cyclohexadienyl dehydratase
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-20
Release date:2017-01-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
To Be Published
5HMF
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BU of 5hmf by Molmil
Crystal structure of triazine hydrolase variant (P214T/Y215H/E241Q)
Descriptor: Triazine hydrolase, ZINC ION
Authors:Sugrue, E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-16
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Biochemistry, 55, 2016
5HME
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BU of 5hme by Molmil
Crystal structure of Triazine Hydrolase variant (P214T/Y215H)
Descriptor: Triazine hydrolase, ZINC ION
Authors:Sugrue, E, Carr, P.D, Jackson, C.J.
Deposit date:2016-01-16
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Active Site Desolvation and Thermostability Trade-Offs in the Evolution of Catalytically Diverse Triazine Hydrolases.
Biochemistry, 55, 2016
4E3T
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BU of 4e3t by Molmil
Round 18 Arylesterase Variant of Phosphotriesterase with Bound Transition State Analog
Descriptor: Phosphotriesterase, ZINC ION, hexyl(naphthalen-2-yloxy)phosphinic acid
Authors:Tokuriki, N, Jackson, C.J, Tawfik, D.S.
Deposit date:2012-03-10
Release date:2013-01-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Diminishing returns and tradeoffs constrain the laboratory optimization of an enzyme
Nat Commun, 3, 2012
5IVK
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BU of 5ivk by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated-enzyme ensemble refinement
Descriptor: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-03-21
Release date:2016-06-22
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5IVI
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BU of 5ivi by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: phosphorylated enzyme qFit multi-conformer model
Descriptor: Carboxylic ester hydrolase, DIETHYL HYDROGEN PHOSPHATE
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-03-20
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
4XD5
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BU of 4xd5 by Molmil
Phosphotriesterase variant R2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R2, ...
Authors:Campbell, E, Kaltenbach, M, Tokuriki, N, Jackson, C.J.
Deposit date:2014-12-19
Release date:2015-12-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
4ZKY
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BU of 4zky by Molmil
Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis
Descriptor: CHLORIDE ION, IODIDE ION, Pyridoxamine 5-phosphate oxidase, ...
Authors:Lee, B.M, Carr, P.D, Ahmed, F.H, Jackson, C.J.
Deposit date:2015-05-01
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
4YBN
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BU of 4ybn by Molmil
Structure of the FAD and Heme binding protein msmeg_4975 from Mycobacterium smegmatis
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-nucleotide-binding protein, ...
Authors:Ahmed, F.H, Carr, P.D, Jackson, C.J.
Deposit date:2015-02-18
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015
4Y9I
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BU of 4y9i by Molmil
Structure of F420-H2 Dependent Reductase (FDR-A) msmeg_2027
Descriptor: Mycobacterium tuberculosis paralogous family 11, PHOSPHATE ION
Authors:Ahmed, F.H, Carr, P.D, Jackson, C.J.
Deposit date:2015-02-17
Release date:2015-10-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria.
J.Mol.Biol., 427, 2015

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PDB entries from 2024-08-07

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