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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:2024-05-29
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, 2024
5T0W
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BU of 5t0w by Molmil
Crystal structure of the ancestral amino acid-binding protein AncCDT-1, a precursor of cyclohexadienyl dehydratase
Descriptor: ARGININE, AncCDT-1
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-08-16
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:To be published
To Be Published
5JAB
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BU of 5jab by Molmil
Structure of the biliverdin reductase Rv2074 from Mycobacterium tuberculosis in complex with F420
Descriptor: Biliverdin reductase Rv2074, CHLORIDE ION, COENZYME F420-3
Authors:Ahmed, F.H, Carr, P.D, Jackson, C.J.
Deposit date:2016-04-12
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rv2074 is a novel F420 H2 -dependent biliverdin reductase in Mycobacterium tuberculosis.
Protein Sci., 25, 2016
5IVH
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BU of 5ivh by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme ensemble refinement
Descriptor: Carboxylic ester hydrolase
Authors:Correy, G.J, Jackson, C.J.
Deposit date:2016-03-20
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
5IVD
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BU of 5ivd by Molmil
The alpha-esterase-7 carboxylesterase, E3, from the blowfly Lucilia cuprina: apo-enzyme qFit multi-conformer model
Descriptor: Carboxylic ester hydrolase
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 (1.71 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography.
Structure, 24, 2016
6AML
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BU of 6aml by Molmil
Phosphotriesterase variant S8
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-08-09
Release date:2018-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Phosphotriesterase variant S8
To Be Published
6DYN
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BU of 6dyn by Molmil
C-terminal condensation domain of Ebony in complex with Histamine
Descriptor: CALCIUM ION, Ebony, HISTAMINE
Authors:Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DYS
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BU of 6dys by Molmil
C-terminal condensation domain of Ebony in complex with beta-alanyl-dopamine
Descriptor: CALCIUM ION, Ebony, N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide
Authors:Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DYO
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BU of 6dyo by Molmil
C-terminal condensation domain of Ebony in complex with L-Dopamine
Descriptor: CALCIUM ION, Ebony, L-DOPAMINE
Authors:Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DYM
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BU of 6dym by Molmil
C-terminal condensation domain of Ebony
Descriptor: CALCIUM ION, Ebony
Authors:Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6DYR
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BU of 6dyr by Molmil
C-terminal condensation domain of Ebony in complex with Carcinine
Descriptor: Ebony, N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide
Authors:Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J.
Deposit date:2018-07-02
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7R6O
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BU of 7r6o by Molmil
Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS)
Descriptor: 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION
Authors:Frkic, R.L, Huber, T, Jackson, C.J.
Deposit date:2021-06-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction.
Angew.Chem.Int.Ed.Engl., 61, 2022
7RNW
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BU of 7rnw by Molmil
SARS-CoV-2 Main Protease in complex with a cyclic peptide inhibitor
Descriptor: 3C-like proteinase, ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-ARG-GLU-SEC
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2021-07-30
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antiviral cyclic peptides targeting the main protease of SARS-CoV-2.
Chem Sci, 13, 2022
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
3D03
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BU of 3d03 by Molmil
1.9A structure of Glycerophoshphodiesterase (GpdQ) from Enterobacter aerogenes
Descriptor: COBALT (II) ION, Phosphohydrolase
Authors:Hadler, K.S, Tanifum, E, Yip, S.H.-C, Miti, N, Guddat, L.W, Jackson, C.J, Gahan, L.R, Carr, P.D, Nguyen, K, Ollis, D.L, Hengge, A.C, Larrabee, J.A, Schenk, G.
Deposit date:2008-04-30
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate-promoted formation of a catalytically competent binuclear center and regulation of reactivity in a glycerophosphodiesterase from Enterobacter aerogenes.
J.Am.Chem.Soc., 130, 2008
8ETY
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BU of 8ety by Molmil
Ancestral PETase 35_442
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Ancestral PETase 35_442
To Be Published
8EU0
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BU of 8eu0 by Molmil
Ancestral PETase 35_442 Mutant E27Q
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Ancestral PETase 35_442 Mutant E27Q
To Be Published
8EKG
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BU of 8ekg by Molmil
MHETase variant Thr159Val, Met192Tyr, Tyr252Phe, Tyr503Trp
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-09-20
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:MHETase protein engineering using a novel colorimetric assay
To Be Published
8EU1
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BU of 8eu1 by Molmil
Ancestral PETase 35_442 Mutant F93L
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Ancestral PETase 35_442 Mutant F93L
To Be Published
8ETZ
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BU of 8etz by Molmil
Ancestral PETase 35_442 Mutant E13D
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Ancestral PETase 35_442 Mutant E13D
To Be Published
8ETX
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BU of 8etx by Molmil
Ancestral PETase 55_547
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Polyethylene terephthalate hydrolase, ...
Authors:Saunders, J.W, Frkic, R.L, Jackson, C.J.
Deposit date:2022-10-18
Release date:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ancestral PETase 55_547
To Be Published
8F9X
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BU of 8f9x by Molmil
Cyclase-PTE
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Ji, D, Frkic, R.L, Jackson, C.J.
Deposit date:2022-11-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Cyclase-PTE
To Be Published
4WHB
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BU of 4whb by Molmil
Crystal structure of phenylurea hydrolase B
Descriptor: Phenylurea hydrolase B, ZINC ION
Authors:Sugrue, E, Carr, P.D, Khurana, J.L, Jackson, C.J.
Deposit date:2014-09-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.958 Å)
Cite:Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron.
Appl.Environ.Microbiol., 81, 2015
4WGX
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BU of 4wgx by Molmil
Crystal Structure of Molinate Hydrolase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, COBALT (II) ION, Molinate hydrolase
Authors:Sugrue, E, Carr, P.D, Fraser, N.J, Hopkins, D.H, Jackson, C.J.
Deposit date:2014-09-19
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Evolutionary Expansion of the Amidohydrolase Superfamily in Bacteria in Response to the Synthetic Compounds Molinate and Diuron.
Appl.Environ.Microbiol., 81, 2015
7RFD
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BU of 7rfd by Molmil
E. coli peptidyl-prolyl cis-trans isomerase, mutant Phe4Ala Phe27CF3-Phe/Phe98CF3-Phe
Descriptor: Peptidyl-prolyl cis-trans isomerase
Authors:Frkic, R.L, Otting, G, Jackson, C.J.
Deposit date:2021-07-14
Release date:2021-09-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Through-Space Scalar 19 F- 19 F Couplings between Fluorinated Noncanonical Amino Acids for the Detection of Specific Contacts in Proteins.
J.Am.Chem.Soc., 143, 2021

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