5CGB
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![BU of 5cgb by Molmil](/molmil-images/mine/5cgb) | Crystal structure of FimH in complex with heptyl alpha-D-septanoside | 分子名称: | (6R)-1,6-anhydro-2-O-heptyl-6-(hydroxymethyl)-D-galactitol, Protein FimH, SULFATE ION | 著者 | Jakob, R.P, Preston, R.P, Zihlmann, P, Fiege, B, Sager, C.P, Vannam, R, Rabbani, S, Zalewski, A, Maier, T, Ernst, B, Peczuh, M. | 登録日 | 2015-07-09 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The price of flexibility - a case study on septanoses as pyranose mimetics. Chem Sci, 9, 2018
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5L4W
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![BU of 5l4w by Molmil](/molmil-images/mine/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
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![BU of 5l4x by Molmil](/molmil-images/mine/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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4CSS
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![BU of 4css by Molmil](/molmil-images/mine/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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5L4U
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![BU of 5l4u by Molmil](/molmil-images/mine/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
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![BU of 5l4y by Molmil](/molmil-images/mine/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
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![BU of 5l4v by Molmil](/molmil-images/mine/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
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![BU of 5l4t by Molmil](/molmil-images/mine/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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6G2S
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![BU of 6g2s by Molmil](/molmil-images/mine/6g2s) | Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside | 分子名称: | (2~{R},3~{S},4~{S},5~{S},6~{R})-2-(hydroxymethyl)-6-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]phenoxy]oxane-3,4,5-triol, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin | 著者 | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | 登録日 | 2018-03-23 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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6G2R
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![BU of 6g2r by Molmil](/molmil-images/mine/6g2r) | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | 著者 | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | 登録日 | 2018-03-23 | 公開日 | 2019-03-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists. Chemmedchem, 14, 2019
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4CST
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![BU of 4cst by Molmil](/molmil-images/mine/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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6EYJ
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![BU of 6eyj by Molmil](/molmil-images/mine/6eyj) | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV354 | 分子名称: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(1~{R},2~{R})-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxycyclohexyl]oxy-oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | 登録日 | 2017-11-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | E-selectin lectin with different glycomimetic ligands To Be Published
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6EYK
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![BU of 6eyk by Molmil](/molmil-images/mine/6eyk) | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV355 | 分子名称: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | 登録日 | 2017-11-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | E-selectin lectin with different glycomimetic ligands To Be Published
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6EYI
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![BU of 6eyi by Molmil](/molmil-images/mine/6eyi) | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669 | 分子名称: | (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | 登録日 | 2017-11-13 | 公開日 | 2018-11-21 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | E-selectin lectin with different glycomimetic ligands To Be Published
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4X5P
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![BU of 4x5p by Molmil](/molmil-images/mine/4x5p) | Crystal structure of FimH in complex with a benzoyl-amidophenyl alpha-D-mannopyranoside | 分子名称: | 4-{[3-chloro-4-(alpha-D-mannopyranosyloxy)phenyl]carbamoyl}benzoic acid, Protein FimH | 著者 | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | 登録日 | 2014-12-05 | 公開日 | 2015-05-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (0.997 Å) | 主引用文献 | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4X5R
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![BU of 4x5r by Molmil](/molmil-images/mine/4x5r) | Crystal structure of FimH in complex with a squaryl-phenyl alpha-D-mannopyranoside derivative | 分子名称: | 2-chloro-4-{[2-(4-methylpiperazin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}phenyl alpha-D-mannopyranoside, Protein FimH, SULFATE ION | 著者 | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | 登録日 | 2014-12-05 | 公開日 | 2015-05-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4Z3G
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![BU of 4z3g by Molmil](/molmil-images/mine/4z3g) | Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P212121 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methoxyphenol, PapG, ... | 著者 | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2015-03-31 | 公開日 | 2016-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4X50
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![BU of 4x50 by Molmil](/molmil-images/mine/4x50) | Crystal structure of FimH in complex with biphenyl alpha-D-mannopyranoside | 分子名称: | Protein FimH, biphenyl-4-yl alpha-D-mannopyranoside | 著者 | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | 登録日 | 2014-12-04 | 公開日 | 2015-05-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4X5Q
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![BU of 4x5q by Molmil](/molmil-images/mine/4x5q) | Crystal structure of FimH in complex with 5-nitro-indolinylphenyl alpha-D-mannopyranoside | 分子名称: | 4-(5-nitro-1H-indol-1-yl)phenyl alpha-D-mannopyranoside, Protein FimH | 著者 | Preston, R.C, Jakob, R.P, Fiege, B, Zihlmann, P, Rabbani, S, Schwardt, O, Jiang, X, Ernst, B, Maier, T. | 登録日 | 2014-12-05 | 公開日 | 2015-05-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | 主引用文献 | The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X-ray Crystallography. Chembiochem, 16, 2015
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4Z3I
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![BU of 4z3i by Molmil](/molmil-images/mine/4z3i) | Crystal structure of the lectin domain of PapG from E. coli BI47 in spacegroup P21212 | 分子名称: | PapG, lectin domain | 著者 | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2015-03-31 | 公開日 | 2016-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.739 Å) | 主引用文献 | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3H
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![BU of 4z3h by Molmil](/molmil-images/mine/4z3h) | Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with 4-methoxyphenyl beta-D-galabiose in space group P21 | 分子名称: | 4-methoxyphenol, PapG, lectin domain, ... | 著者 | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2015-03-31 | 公開日 | 2016-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3E
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![BU of 4z3e by Molmil](/molmil-images/mine/4z3e) | Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P212121 | 分子名称: | PapG, lectin domain, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2015-03-31 | 公開日 | 2016-04-13 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3F
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![BU of 4z3f by Molmil](/molmil-images/mine/4z3f) | Crystal structure of the lectin domain of PapG from E. coli BI47 in complex with SSEA4 in space group P21 | 分子名称: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PapG, lectin domain, ... | 著者 | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2015-03-31 | 公開日 | 2016-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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4Z3J
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![BU of 4z3j by Molmil](/molmil-images/mine/4z3j) | Crystal structure of the lectin domain of PapG from E. coli BI47 in space group P1 | 分子名称: | PapG, lectin domain | 著者 | Jakob, R.P, Navarra, G, Zihlmann, P, Stangier, K, Preston, R.C, Rabbani, S, Maier, T, Ernst, B. | 登録日 | 2015-03-31 | 公開日 | 2016-04-13 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Carbohydrate-Lectin Interactions: An Unexpected Contribution to Affinity. Chembiochem, 18, 2017
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