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8THM
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BU of 8thm by Molmil
Beta carbonic anhydrase from the carboxysome of Cyanobium PCC 7001
Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, CARBON DIOXIDE, ...
Authors:Pulsford, S.B, Jackson, C.J.
Deposit date:2023-07-17
Release date:2023-08-09
Last modified:2024-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cyanobacterial alpha-carboxysome carbonic anhydrase is allosterically regulated by the Rubisco substrate RuBP.
Sci Adv, 10, 2024
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
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
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
7LNH
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BU of 7lnh by Molmil
S-adenosylmethionine synthetase co-crystallized with UppNHp
Descriptor: (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-$l^{3}-sulfanyl]butanoic acid, 1,2-ETHANEDIOL, S-adenosylmethionine synthase isoform type-2
Authors:Tan, L.L, Jackson, C.J.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Dynamics Contribute to Enzymatic Specificity in Human and Bacterial Methionine Adenosyltransferases.
Jacs Au, 1, 2021
7N3J
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BU of 7n3j by Molmil
E. coli peptidyl-prolyl cis-trans isomerase, mutant Phe27CF3-Tyr/Phe98CF3-Tyr
Descriptor: Peptidyl-prolyl cis-trans isomerase B
Authors:Frkic, R.L, Otting, G, Jackson, C.J.
Deposit date:2021-06-01
Release date:2021-09-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 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
6C2C
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BU of 6c2c by Molmil
The molecular basis for the functional evolution of an organophosphate hydrolysing enzyme
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
Authors:Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G.
Deposit date:2018-01-08
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme.
Nat.Chem.Biol., 15, 2019
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
5JV4
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BU of 5jv4 by Molmil
Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis with F420 bound
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COENZYME F420, ...
Authors:Lee, B.M, Carr, P.D, Jackson, C.J.
Deposit date:2016-05-10
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis with F420 bound
To Be Published
5JOS
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BU of 5jos by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-3(P188L).
Descriptor: BENZOIC ACID, CITRIC ACID, Cyclohexadienyl dehydratase, ...
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-05-03
Release date:2017-05-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:To be published
To Be Published
5KKW
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BU of 5kkw by Molmil
Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
Descriptor: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, Cyclohexadienyl dehydratase, SULFATE ION
Authors:Clifton, B.E, Carr, P.D, Jackson, C.J.
Deposit date:2016-06-22
Release date:2017-07-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
To Be Published
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
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
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
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
7RG8
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BU of 7rg8 by Molmil
Crystal Structure of a Stable Heparanase Mutant
Descriptor: ACETATE ION, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit, ...
Authors:Whitefield, C, Hong, N.S, Jackson, C.J.
Deposit date:2021-07-14
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Computational design and experimental characterisation of a stable human heparanase variant.
Rsc Chem Biol, 3, 2022
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
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
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
6ECI
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BU of 6eci by Molmil
Structure of the FAD binding protein MSMEG_5243 from Mycobacterium smegmatis
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase-related, ...
Authors:Ahmed, F.H, Antoney, J, Carr, P.D, Jackson, C.J.
Deposit date:2018-08-07
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:FAD-sequestering proteins protect mycobacteria against hypoxic and oxidative stress.
J. Biol. Chem., 294, 2019
6FD8
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BU of 6fd8 by Molmil
Gamma-s crystallin dimer
Descriptor: Beta-crystallin S
Authors:Mabbitt, P.D, Thorn, D.C, Jackson, C.J, Carver, J.A.
Deposit date:2017-12-22
Release date:2018-12-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structure and Stability of the Disulfide-Linked gamma S-Crystallin Dimer Provide Insight into Oxidation Products Associated with Lens Cataract Formation.
J. Mol. Biol., 431, 2019
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

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