5ELB
 
 | | Cholera toxin classical B-pentamer in complex with Lewis-y | | 分子名称: | BICINE, CALCIUM ION, Cholera enterotoxin B subunit, ... | | 著者 | Heggelund, J.E, Burschowsky, D, Krengel, U. | | 登録日 | 2015-11-04 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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5LZH
 | | Cholera toxin classical B-pentamer in complex with inhibitor PC262 | | 分子名称: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Heggelund, J.E, Martinsen, T, Krengel, U. | | 登録日 | 2016-09-29 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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5LZG
 | | Cholera toxin El Tor B-pentamer in complex with inhibitor PC262 | | 分子名称: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | 著者 | Heggelund, J.E, Martinsen, T, Krengel, U. | | 登録日 | 2016-09-29 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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5LZJ
 | | Cholera toxin El Tor B-pentamer in complex with inhibitor Laura237 | | 分子名称: | (~{Z})-~{N}-[2-[(2~{R},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide, Cholera enterotoxin subunit B, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Heggelund, J.E, Krengel, U. | | 登録日 | 2016-09-29 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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3CHB
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1JR0
 | | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011 | | 分子名称: | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE, cholera toxin B subunit | | 著者 | Merritt, E.A, Hol, W.G.J. | | 登録日 | 2001-08-09 | | 公開日 | 2002-05-08 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.
Chem.Biol., 9, 2002
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1DJR
 | | HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE | | 分子名称: | BENZOIC ACID, GLYCEROL, HEAT-LABILE ENTEROTOXIN, ... | | 著者 | Minke, W.E, Pickens, J, Merritt, E.A, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | 登録日 | 1999-12-03 | | 公開日 | 2000-06-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structure of m-carboxyphenyl-alpha-D-galactopyranoside complexed to heat-labile enterotoxin at 1.3 A resolution: surprising variations in ligand-binding modes.
Acta Crystallogr.,Sect.D, 56, 2000
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1PZK
 | | Cholera Toxin B-Pentamer Complexed With N-Acyl Phenyl Galactoside 9h | | 分子名称: | Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL-ACETYLAMINO)-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE | | 著者 | Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J. | | 登録日 | 2003-07-11 | | 公開日 | 2004-03-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | 3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
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1RDP
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV3 | | 分子名称: | 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | | 著者 | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | 登録日 | 2003-11-05 | | 公開日 | 2004-10-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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1RF2
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV4 | | 分子名称: | 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, TRIETHYLENE GLYCOL, ... | | 著者 | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | 登録日 | 2003-11-07 | | 公開日 | 2004-10-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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5ELD
 | | Cholera toxin classical B-pentamer in complex with A Lewis-y | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cholera enterotoxin B subunit, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Heggelund, J.E, Burschowsky, D, Krengel, U. | | 登録日 | 2015-11-04 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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1RD9
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV2 | | 分子名称: | 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HEXAETHYLENE GLYCOL, ... | | 著者 | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | 登録日 | 2003-11-05 | | 公開日 | 2004-10-26 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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6IAL
 | | Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose | | 分子名称: | CALCIUM ION, GLYCEROL, Heat-labile enterotoxin B chain, ... | | 著者 | Heim, J.B, Heggelund, J.E, Krengel, U. | | 登録日 | 2018-11-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Specificity ofEscherichia coliHeat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and Crystallography.
Int J Mol Sci, 20, 2019
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1MD2
 | | CHOLERA TOXIN B-PENTAMER WITH DECAVALENT LIGAND BMSC-0013 | | 分子名称: | 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE, CHOLERA TOXIN B SUBUNIT, CYANIDE ION, ... | | 著者 | Zhang, Z, Merritt, E.A, Ahn, M, Roach, C, Hol, W.G.J, Fan, E. | | 登録日 | 2002-08-06 | | 公開日 | 2002-12-11 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Solution and crystallographic studies of branched multivalent ligands that inhibit the receptor-binding of cholera toxin.
J.Am.Chem.Soc., 124, 2002
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1LLR
 | | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012 | | 分子名称: | 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE, 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside, CHOLERA TOXIN B SUBUNIT | | 著者 | Merritt, E.A, Hol, W.G.J. | | 登録日 | 2002-04-30 | | 公開日 | 2002-08-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin.
J.Am.Chem.Soc., 124, 2002
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1PZJ
 | | Cholera Toxin B-Pentamer Complexed With Nitrophenyl Galactoside 5 | | 分子名称: | Cholera Toxin B Subunit, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-ALPHA-BENZAMIDE, N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-BETA-BENZAMIDE | | 著者 | Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J. | | 登録日 | 2003-07-11 | | 公開日 | 2004-03-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | 3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
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5ELC
 | | Cholera toxin El Tor B-pentamer in complex with Lewis-y | | 分子名称: | BICINE, CALCIUM ION, Cholera enterotoxin subunit B, ... | | 著者 | Heggelund, J.E, Burschowsky, D, Krengel, U. | | 登録日 | 2015-11-04 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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6HJD
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5ELF
 | | Cholera toxin El Tor B-pentamer in complex with A-pentasaccharide | | 分子名称: | BICINE, CALCIUM ION, Cholera enterotoxin subunit B, ... | | 著者 | Heggelund, J.E, Burschowsky, D, Krengel, U. | | 登録日 | 2015-11-04 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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8OXS
 | | Cholera holotoxin variant (chimera with E. coli heat-labile enterotoxin, 4 C-terminal substitutions) | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cholera enterotoxin subunit A, Cholera enterotoxin subunit B, ... | | 著者 | Kersten, F, Heim, J.B, Cordara, G, Krengel, U. | | 登録日 | 2023-05-02 | | 公開日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Cholera toxin variants
To Be Published
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6HMY
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5LZI
 | | Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 | | 分子名称: | (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Heggelund, J.E, Mackenzie, A, Krengel, U. | | 登録日 | 2016-09-29 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Towards new cholera prophylactics and treatment: Crystal structures of bacterial enterotoxins in complex with GM1 mimics.
Sci Rep, 7, 2017
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5ELE
 | | Cholera toxin El Tor B-pentamer in complex with A Lewis-y | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICINE, CALCIUM ION, ... | | 著者 | Heggelund, J.E, Burschowsky, D, Krengel, U. | | 登録日 | 2015-11-04 | | 公開日 | 2016-03-30 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | High-Resolution Crystal Structures Elucidate the Molecular Basis of Cholera Blood Group Dependence.
Plos Pathog., 12, 2016
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1EFI
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1RCV
 | | Cholera Toxin B-Pentamer Complexed With Bivalent Nitrophenol-Galactoside Ligand BV1 | | 分子名称: | [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE, cholera toxin B protein (CTB) | | 著者 | Pickens, J.C, Mitchell, D.D, Liu, J, Tan, X, Zhang, Z, Verlinde, C.L, Hol, W.G, Fan, E. | | 登録日 | 2003-11-04 | | 公開日 | 2004-10-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Nonspanning bivalent ligands as improved surface receptor binding inhibitors of the cholera toxin B pentamer.
Chem.Biol., 11, 2004
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