7QT6
 
 | | Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110 | | 分子名称: | 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
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7QT5
 | | Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168 | | 分子名称: | 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
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7QT7
 | | Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | | 著者 | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
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4Y8E
 | | PA3825-EAL Ca-Apo Structure | | 分子名称: | CALCIUM ION, PA3825 EAL | | 著者 | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | | 登録日 | 2015-02-16 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains
To Be Published
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5MF5
 | | PA3825-EAL Mg-CdG Structure | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION | | 著者 | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | | 登録日 | 2016-11-17 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
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5MFU
 | | PA3825-EAL Mn-pGpG Structure | | 分子名称: | Diguanylate phosphodiesterase, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | | 著者 | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | | 登録日 | 2016-11-18 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
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5MKG
 | | PA3825-EAL Ca-CdG Structure | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Diguanylate phosphodiesterase | | 著者 | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | | 登録日 | 2016-12-04 | | 公開日 | 2016-12-14 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
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5N8G
 | | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 2. | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | | 著者 | Horrell, S, Kekilli, D, Hough, M, Strange, R. | | 登録日 | 2017-02-23 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
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5N8H
 | | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 3. | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | | 著者 | Horrell, S, Kekilli, D, Hough, M, Strange, R. | | 登録日 | 2017-02-23 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
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5N8I
 | | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 100K reference dataset. | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION | | 著者 | Horrell, S, Kekilli, D, Hough, M, Strange, R. | | 登録日 | 2017-02-23 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
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5N8F
 | | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 240K. Dataset 1. | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION | | 著者 | Horrell, S, Kekilli, D, Hough, M, Strange, R. | | 登録日 | 2017-02-23 | | 公開日 | 2017-07-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
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4Y9N
 | | PA3825-EAL Metal-Free-Apo Structure - Magnesium Co-crystallisation | | 分子名称: | PA3825-EAL, PHOSPHATE ION | | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | | 登録日 | 2015-02-17 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains
To Be Published
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4Y9P
 | | PA3825-EAL Ca-CdG Structure | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, PA3825-EAL | | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | | 登録日 | 2015-02-17 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
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4Y9O
 | | PA3825-EAL Metal-Free-Apo Structure - Manganese Co-crystallisation | | 分子名称: | PA3825-EAL, PHOSPHATE ION | | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | | 登録日 | 2015-02-17 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site
To Be Published
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4Y9M
 | | PA3825-EAL Metal-Free-Apo Structure | | 分子名称: | PA3825-EAL, PHOSPHATE ION | | 著者 | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | | 登録日 | 2015-02-17 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
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6H79
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7Z3B
 | | Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, reduced form | | 分子名称: | ACETATE ION, AcoP, COPPER (I) ION, ... | | 著者 | Leone, P, Sciara, G, Ilbert, M. | | 登録日 | 2022-03-02 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features.
Dalton Trans, 53, 2024
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7Z3F
 | | Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, oxidized form | | 分子名称: | ACETATE ION, AcoP, CHLORIDE ION, ... | | 著者 | Leone, P, Sciara, G, Ilbert, M. | | 登録日 | 2022-03-02 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features.
Dalton Trans, 53, 2024
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7Z3G
 | | Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, H166A mutant | | 分子名称: | AcoP, COPPER (I) ION, GLYCEROL | | 著者 | Leone, P, Sciara, G, Ilbert, M. | | 登録日 | 2022-03-02 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features.
Dalton Trans, 53, 2024
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7Z3I
 | | Crystal structure of the cupredoxin AcoP from Acidithiobacillus ferrooxidans, M171A mutant | | 分子名称: | ACETATE ION, AcoP, COPPER (II) ION, ... | | 著者 | Leone, P, Sciara, G, Ilbert, M. | | 登録日 | 2022-03-02 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features.
Dalton Trans, 53, 2024
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7TSR
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7TSU
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7TSS
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7TSV
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8BCK
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