7BKV
 
 | | Endothiapepsin structure obtained at 100K with fragment AC39729 bound | | 分子名称: | 5-fluoranylpyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment AC39729 bound
To Be Published
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7BKS
 | | 100K endothiapepsin structure obtained in presence of 40 mM DMSO | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | 100K endothiapepsin structure obtained in presence of 40 mM DMSO
To Be Published
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7BKU
 | | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound | | 分子名称: | 1,10-PHENANTHROLINE, DIMETHYL SULFOXIDE, Endothiapepsin | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment JFD03909 bound
To Be Published
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7BKW
 | | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound | | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Engilberge, S, Huang, C.-Y, Smith, K.M.L, Eris, D, Marsh, M, Wang, M, Wojdyla, J.A. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Endothiapepsin structure obtained at 100K with fragment BTB09871 bound
To Be Published
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7NT1
 | | Crystal structure of SARS CoV2 main protease in complex with FSP007 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-08 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7NT2
 | | Crystal structure of SARS CoV2 main protease in complex with FSP006 | | 分子名称: | 3C-like proteinase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-08 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.145 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7NT3
 | | Crystal structure of SARS CoV2 main protease in complex with FSCU015 | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-08 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.325 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7NTV
 | | Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map) | | 分子名称: | 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-10 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.065 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7NUK
 | | Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map) | | 分子名称: | 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R. | | 登録日 | 2021-03-12 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4CST
 | | Crystal structure of FimH in complex with 3'-Chloro-4'-(alpha-D-mannopyranosyloxy)-biphenyl-4-carbonitrile | | 分子名称: | 3'-chloro-4'-(alpha-D-mannopyranosyloxy)biphenyl-4-carbonitrile, PROTEIN FIMH | | 著者 | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | | 登録日 | 2014-03-10 | | 公開日 | 2015-02-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
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4CSS
 | | Crystal structure of FimH in complex with a sulfonamide biphenyl alpha D-mannoside | | 分子名称: | 4'-(alpha-D-Mannopyranosyloxy)-biphenyl-4-methyl sulfonamide, GLYCEROL, PROTEIN FIMH | | 著者 | Kleeb, S, Pang, L, Mayer, K, Sigl, A, Eris, D, Preston, R.C, Zihlmann, P, Abgottspon, D, Hutter, A, Scharenberg, M, Jian, X, Navarra, G, Rabbani, S, Smiesko, M, Luedin, N, Jakob, R.P, Schwardt, O, Maier, T, Sharpe, T, Ernst, B. | | 登録日 | 2014-03-10 | | 公開日 | 2015-02-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.069 Å) | | 主引用文献 | Fimh Antagonists: Bioisosteres to Improve the in Vitro and in Vivo Pk/Pd Profile.
J.Med.Chem., 58, 2015
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5L4W
 | | Crystal structure of FimH lectin domain in complex with 3-Fluoro-Heptylmannoside | | 分子名称: | Protein FimH, heptyl 3-fluoro-alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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5L4X
 | | Crystal structure of FimH lectin domain in complex with 4-Deoxy-Heptylmannoside | | 分子名称: | Protein FimH, heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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7BKY
 | | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin, PENTAETHYLENE GLYCOL, ... | | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Endothiapepsin structure obtained at 298K with fragment BTB09871 bound from a dataset collected with JUNGFRAU detector
To Be Published
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7BKR
 | | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Endothiapepsin structure obtained at 298K and 40 mM DMSO from a dataset collected with JUNGFRAU detector
To Be Published
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7BKZ
 | | Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector | | 分子名称: | DIMETHYL SULFOXIDE, Endothiapepsin | | 著者 | Engilberge, S, Huang, C.-Y, Leonarski, F, Wojdyla, J.A, Marsh, M, Olieric, V, Wang, M. | | 登録日 | 2021-01-17 | | 公開日 | 2022-03-02 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Endothiapepsin structure obtained at 298K after a soaking with fragment AC39729 from a dataset collected with JUNGFRAU detector
To Be Published
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5L4U
 | | Crystal structure of FimH lectin domain in complex with 2-Fluoro-Heptylmannoside | | 分子名称: | Protein FimH, heptyl 2-fluoro-alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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5L4Y
 | | Crystal structure of FimH lectin domain in complex with 4-Fluoro-Heptylmannoside | | 分子名称: | Protein FimH, heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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5L4V
 | | Crystal structure of FimH lectin domain in complex with 3-Deoxy-Heptylmannoside | | 分子名称: | Protein FimH, heptyl 3-deoxy-alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, T. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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5L4T
 | | Crystal structure of FimH lectin domain in complex with 2-Deoxy-Heptylmannoside | | 分子名称: | Protein FimH, heptyl 2-deoxy-alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | 登録日 | 2016-05-26 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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5MCA
 | | Crystal structure of FimH-LD R60P variant in the apo state | | 分子名称: | Protein FimH, SULFATE ION | | 著者 | Jakob, R.P, Rabbani, S, Ernst, B, Maier, T. | | 登録日 | 2016-11-09 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.604 Å) | | 主引用文献 | Conformational switch of the bacterial adhesin FimH in the absence of the regulatory domain: Engineering a minimalistic allosteric system.
J. Biol. Chem., 293, 2018
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4XO8
 | | Crystal structure of the FimH lectin domain from E.coli K12 in complex with heptyl alpha-D-mannopyrannoside | | 分子名称: | Protein FimH, heptyl alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | | 登録日 | 2015-01-16 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
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4XOD
 | | Crystal structure of a FimH*DsG complex from E.coli F18 | | 分子名称: | FimG protein, FimH protein | | 著者 | Jakob, R.P, Sauer, M.M, Glockshuber, R, Maier, T. | | 登録日 | 2015-01-16 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
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4XOC
 | | Crystal structure of the FimH lectin domain from E.coli F18 in complex with heptyl alpha-D-mannopyrannoside | | 分子名称: | FimH protein, heptyl alpha-D-mannopyranoside | | 著者 | Jakob, R.P, Sauer, M.M, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | | 登録日 | 2015-01-16 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
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4XOB
 | | Crystal structure of a FimH*DsF complex from E.coli K12 with bound heptyl alpha-D-mannopyrannoside | | 分子名称: | FimF, Protein FimH, SULFATE ION, ... | | 著者 | Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | | 登録日 | 2015-01-16 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH.
Nat Commun, 7, 2016
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