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8UQX
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BU of 8uqx by Molmil
Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18
著者Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J.
登録日2023-10-25
公開日2024-04-03
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献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
8UPI
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BU of 8upi by Molmil
Structure of a periplasmic peptide binding protein from Mesorhizobium sp. AP09 bound to aminoserine
分子名称: 1,2-ETHANEDIOL, AMINOSERINE, CALCIUM ION, ...
著者Frkic, R.L, Smith, O.B, Rahman, M, Kaczmarski, J.A, Jackson, C.J.
登録日2023-10-22
公開日2023-11-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification and Characterization of a Bacterial Periplasmic Solute Binding Protein That Binds l-Amino Acid Amides.
Biochemistry, 2024
8VRG
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BU of 8vrg by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing delta1-monofluoro-leucines
分子名称: Peptidyl-prolyl cis-trans isomerase B
著者Frkic, R.L, Jackson, C.J.
登録日2024-01-22
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Conformational Preferences of the Non-Canonical Amino Acids (2S,4S)-5-Fluoroleucine, (2S,4R)-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein
Biochemistry, 2024
8VRH
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BU of 8vrh by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Frkic, R.L, Jackson, C.J.
登録日2024-01-22
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Conformational Preferences of the Non-Canonical Amino Acids (2S,4S)-5-Fluoroleucine, (2S,4R)-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein
Biochemistry, 2024
8VRI
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BU of 8vri by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing difluoro-leucines
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NONAETHYLENE GLYCOL, ...
著者Frkic, R.L, Jackson, C.J.
登録日2024-01-22
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Conformational Preferences of the Non-Canonical Amino Acids (2S,4S)-5-Fluoroleucine, (2S,4R)-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein
Biochemistry, 2024
6WKB
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BU of 6wkb by Molmil
Human S-adenosylmethionine synthetase co-crystallized with UppNHp and Met
分子名称: 1,2-ETHANEDIOL, 5'-deoxyuridine, D-METHIONINE, ...
著者Tan, L.L, Jackson, C.J.
登録日2020-04-15
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献S-adenosylmethionine synthetase
To Be Published
7N3J
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BU of 7n3j by Molmil
E. coli peptidyl-prolyl cis-trans isomerase, mutant Phe27CF3-Tyr/Phe98CF3-Tyr
分子名称: Peptidyl-prolyl cis-trans isomerase B
著者Frkic, R.L, Otting, G, Jackson, C.J.
登録日2021-06-01
公開日2021-09-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ZINC ION, ...
著者Hong, N.-S, Jackson, C.J, Carr, P.D, Tokuriki, N, Baier, F, Yang, G.
登録日2018-01-08
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.597 Å)
主引用文献Higher-order epistasis shapes the fitness landscape of a xenobiotic-degrading enzyme.
Nat.Chem.Biol., 15, 2019
7R6O
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BU of 7r6o by Molmil
Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS)
分子名称: 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION
著者Frkic, R.L, Huber, T, Jackson, C.J.
登録日2021-06-23
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 3C-like proteinase, ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-ARG-GLU-SEC
著者Frkic, R.L, Jackson, C.J.
登録日2021-07-30
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Antiviral cyclic peptides targeting the main protease of SARS-CoV-2.
Chem Sci, 13, 2022
5JV4
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BU of 5jv4 by Molmil
Structure of F420 binding protein, MSMEG_6526, from Mycobacterium smegmatis with F420 bound
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COENZYME F420, ...
著者Lee, B.M, Carr, P.D, Jackson, C.J.
登録日2016-05-10
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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).
分子名称: BENZOIC ACID, CITRIC ACID, Cyclohexadienyl dehydratase, ...
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-05-03
公開日2017-05-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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)
分子名称: 3-(1-methylpiperidinium-1-yl)propane-1-sulfonate, Cyclohexadienyl dehydratase, SULFATE ION
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-06-22
公開日2017-07-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of SAR11_1068 bound to a sulfobetaine (3-(1-methylpiperidinium-1-yl)propane-1-sulfonate)
To Be Published
8THM
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BU of 8thm by Molmil
Beta carbonic anhydrase from the carboxysome of Cyanobium PCC 7001
分子名称: 1,2-ETHANEDIOL, BICARBONATE ION, CARBON DIOXIDE, ...
著者Pulsford, S.B, Jackson, C.J.
登録日2023-07-17
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alpha-cyanobacterial carbonic anhydrase is allosterically regulated by the Rubisco substrate Ribulose 1,5-bisphosphate (RuBP)
To Be Published
8D1D
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BU of 8d1d by Molmil
PROSS PETase
分子名称: CALCIUM ION, Poly(ethylene terephthalate) hydrolase
著者Vongsouthi, V, Jackson, C.J, Tan, L.
登録日2022-05-27
公開日2022-09-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献PROSS PETase
To Be Published
8E08
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BU of 8e08 by Molmil
Crystal structure of HPSE P6 in complex with tetraose pentosan inhibitor
分子名称: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, Heparanase 50 kDa subunit, ...
著者Whitefield, C, Jackson, C.J.
登録日2022-08-08
公開日2023-07-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
8E07
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BU of 8e07 by Molmil
Crystal structure of HPSE P6 in complex with triose pentosan inhibitor
分子名称: 2,3,4-tri-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose-(1-4)-2,3-di-O-sulfo-beta-D-xylopyranose, ACETATE ION, AMMONIUM ION, ...
著者Whitefield, C, Jackson, C.J.
登録日2022-08-08
公開日2023-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Complex Inhibitory Mechanism of Glycomimetics with Heparanase.
Biochemistry, 62, 2023
8E5I
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BU of 8e5i by Molmil
Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp.
分子名称: 1,2-ETHANEDIOL, Alkene reductase, DI(HYDROXYETHYL)ETHER, ...
著者Frkic, R.L, Jackson, C.J.
登録日2022-08-22
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Old Yellow Enzyme 1 (NpOYE1) from Neptuniibacter sp.
To Be Published
8E5H
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BU of 8e5h by Molmil
Old Yellow Enzyme 5 (PcOYE5) from Pseudomonas chloritidismutans
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, CHLORIDE ION, NADH:flavin oxidoreductase
著者Frkic, R.L, Jackson, C.J.
登録日2022-08-22
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Old Yellow Enzyme 5 (PcOYE5) from Pseudomonas chloritidismutans
To Be Published
8EKG
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BU of 8ekg by Molmil
MHETase variant Thr159Val, Met192Tyr, Tyr252Phe, Tyr503Trp
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-09-20
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献MHETase protein engineering using a novel colorimetric assay
To Be Published
8F9Y
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BU of 8f9y by Molmil
SAL1 from Arabidopsis thaliana
分子名称: MAGNESIUM ION, PHOSPHATE ION, SAL1 phosphatase
著者Frkic, R.L, Kaczmarski, J.A, Tan, L, Jackson, C.J.
登録日2022-11-24
公開日2023-01-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Sensing and signaling of oxidative stress in chloroplasts by inactivation of the SAL1 phosphoadenosine phosphatase.
Proc.Natl.Acad.Sci.USA, 113, 2016
8ETY
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BU of 8ety by Molmil
Ancestral PETase 35_442
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Ancestral PETase 35_442
To Be Published
8EU1
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BU of 8eu1 by Molmil
Ancestral PETase 35_442 Mutant F93L
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Ancestral PETase 35_442 Mutant F93L
To Be Published
8EU0
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BU of 8eu0 by Molmil
Ancestral PETase 35_442 Mutant E27Q
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Polyethylene terephthalate hydrolase, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Ancestral PETase 35_442 Mutant E27Q
To Be Published
8ETX
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BU of 8etx by Molmil
Ancestral PETase 55_547
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Polyethylene terephthalate hydrolase, ...
著者Saunders, J.W, Frkic, R.L, Jackson, C.J.
登録日2022-10-18
公開日2023-11-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Ancestral PETase 55_547
To Be Published

220113

件を2024-05-22に公開中

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