4O9Y
 
 | | Crystal Structure of TcdA1 | | Descriptor: | TcdA1 | | Authors: | Meusch, D, Gatsogiannis, C, Efremov, R.G, Lang, A.E, Hofnagel, O, Vetter, I.R, Aktories, K, Raunser, S. | | Deposit date: | 2014-01-03 | | Release date: | 2014-02-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.502 Å) | | Cite: | Mechanism of Tc toxin action revealed in molecular detail.
Nature, 508, 2014
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2ZP0
 | | Human factor viia-tissue factor complexed with benzylsulfonamide-D-ile-gln-P-aminobenzamidine | | Descriptor: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide, CALCIUM ION, Factor VII heavy chain, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H. | | Deposit date: | 2008-06-20 | | Release date: | 2008-07-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Peptide Mimetic Factor VIIa Inhibitor: Importance of Hydrophilic Pocket in S2 Site to Improve Selectivity aganist Thrombin
LETT.DRUG DES.DISCOVERY, 2, 2005
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2ZWL
 | | Human factor viia-tissue factor complexed with highly selective peptide inhibitor | | Descriptor: | 2-[[(2R)-1-[[(2S)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxo-propan-2-yl]sulfamoyl]ethanoic acid, CALCIUM ION, Factor VII heavy chain, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Sato, H, Ohta, M, Kozono, T. | | Deposit date: | 2008-12-16 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human factor viia-tissue factor complexed with highly selective peptide inhibitor
To be Published
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2VSA
 | | Structure and mode of action of a mosquitocidal holotoxin | | Descriptor: | MOSQUITOCIDAL TOXIN | | Authors: | Treiber, N, Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | | Deposit date: | 2008-04-22 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Structure and Mode of Action of a Mosquitocidal Holotoxin
J.Mol.Biol., 381, 2008
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2VSE
 | | Structure and mode of action of a mosquitocidal holotoxin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, MOSQUITOCIDAL TOXIN | | Authors: | Treiber, N, Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | | Deposit date: | 2008-04-22 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Mode of Action of a Mosquitocidal Holotoxin.
J.Mol.Biol., 381, 2008
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2VK9
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2J42
 | | low quality crystal structure of the transport component C2-II of the C2-toxin from Clostridium botulinum | | Descriptor: | C2 TOXIN COMPONENT-II | | Authors: | Schleberger, C, Hochmann, H, Barth, H, Aktories, K, Schulz, G.E. | | Deposit date: | 2006-08-24 | | Release date: | 2006-10-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.13 Å) | | Cite: | Structure and Action of the Binary C2 Toxin from Clostridium Botulinum.
J.Mol.Biol., 364, 2006
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1R4T
 | | Solution structure of exoenzyme S | | Descriptor: | exoenzyme S | | Authors: | Langdon, G.M, Leitner, D, Labudde, D, Kuhne, R, Schmieder, P, Aktories, K, Oschkinat, H.O, Schmidt, G. | | Deposit date: | 2003-10-08 | | Release date: | 2005-04-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the N-terminal GTPase activating domain of Pseudomonas aeruginosa exoenzyme S
To be Published
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2BVL
 | | Crystal structure of the catalytic domain of toxin B from Clostridium difficile in complex with UDP, Glc and manganese ion | | Descriptor: | HEXATANTALUM DODECABROMIDE, MANGANESE (II) ION, SULFATE ION, ... | | Authors: | Reinert, D.J, Jank, T, Aktories, K, Schulz, G.E. | | Deposit date: | 2005-06-30 | | Release date: | 2005-08-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Function of Clostridium Difficile Toxin B.
J.Mol.Biol., 351, 2005
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2BVM
 | | Crystal structure of the catalytic domain of toxin B from Clostridium difficile in complex with UDP, Glc and manganese ion | | Descriptor: | MANGANESE (II) ION, SULFATE ION, TOXIN B, ... | | Authors: | Reinert, D.J, Jank, T, Aktories, K, Schulz, G.E. | | Deposit date: | 2005-06-30 | | Release date: | 2005-08-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Basis for the Function of Clostridium Difficile Toxin B.
J.Mol.Biol., 351, 2005
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3BW8
 | | Crystal structure of the Clostridium limosum C3 exoenzyme | | Descriptor: | Mono-ADP-ribosyltransferase C3, SULFATE ION | | Authors: | Vogelsgesang, M, Stieglitz, B, Herrmann, C, Pautsch, A, Aktories, K. | | Deposit date: | 2008-01-08 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the Clostridium limosum C3 exoenzyme.
Febs Lett., 582, 2008
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3VV6
 | | Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one | | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode
J.Med.Chem., 55, 2012
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3VV7
 | | Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one | | Descriptor: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3VV8
 | | Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one | | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3WB4
 | | Crystal Structure of beta secetase in complex with 2-amino-3,6-dimethyl-6-(2-phenylethyl)-3,4,5,6-tetrahydropyrimidin-4-one | | Descriptor: | (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2013-05-13 | | Release date: | 2013-10-02 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
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3WB5
 | | Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one | | Descriptor: | (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | Authors: | Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2013-05-13 | | Release date: | 2013-10-02 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
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3WJL
 | | Crystal structure of IIb selective Fc variant, Fc(V12), in complex with FcgRIIb | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Ig gamma-1 chain C region, Low affinity immunoglobulin gamma Fc region receptor II-c, ... | | Authors: | Kadono, S, Mimoto, F, Katada, H, Igawa, T, Kuramochi, T, Muraoka, M, Wada, Y, Haraya, K, Miyazaki, T, Hattori, K. | | Deposit date: | 2013-10-11 | | Release date: | 2013-11-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Engineered antibody Fc variant with selectively enhanced Fc gamma RIIb binding over both Fc gamma RIIaR131 and Fc gamma RIIaH131.
Protein Eng.Des.Sel., 26, 2013
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3WJJ
 | | Crystal structure of IIb selective Fc variant, Fc(P238D), in complex with FcgRIIb | | Descriptor: | Ig gamma-1 chain C region, Low affinity immunoglobulin gamma Fc region receptor II-b, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Kadono, S, Mimoto, F, Katada, H, Igawa, T, Kuramochi, T, Muraoka, M, Wada, Y, Haraya, K, Miyazaki, T, Hattori, K. | | Deposit date: | 2013-10-10 | | Release date: | 2013-11-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Engineered antibody Fc variant with selectively enhanced Fc gamma RIIb binding over both Fc gamma RIIaR131 and Fc gamma RIIaH131.
Protein Eng.Des.Sel., 26, 2013
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3WN5
 | | Crystal structure of asymmetrically engineered Fc variant in complex with FcgRIIIa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kadono, S, Mimoto, F, Katada, H, Igawa, T, Kamikawa, T, Hattori, K. | | Deposit date: | 2013-12-05 | | Release date: | 2014-11-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Crystal structure of a novel asymmetrically engineered Fc variant with improved affinity for Fc gamma Rs.
Mol.Immunol., 58, 2014
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