3BON
 
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4EL4
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S/C165S double mutant | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, GLYCEROL, ... | | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Dive, V. | | Deposit date: | 2012-04-10 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
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3BOK
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3BOO
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5MK6
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3C8B
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3QW7
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC | | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | | Authors: | Kumaran, D, Swaminathan, S. | | Deposit date: | 2011-02-27 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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3DDA
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3C8A
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3C89
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3QW5
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRGF | | Descriptor: | Botulinum neurotoxin type A, SULFATE ION, ZINC ION, ... | | Authors: | Kumaran, D, Swaminathan, S. | | Deposit date: | 2011-02-26 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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3QW8
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, SODIUM ION, ... | | Authors: | Kumaran, D, Swaminathan, S. | | Deposit date: | 2011-02-27 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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3QW6
 | | Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC | | Descriptor: | Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ... | | Authors: | Kumaran, D, Swaminathan, S. | | Deposit date: | 2011-02-26 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
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2VU9
 | | CRYSTAL STRUCTURE OF BOTULINUM NEUROTOXIN SEROTYPE A BINDING DOMAIN IN COMPLEX WITH GT1B | | Descriptor: | BOTULINUM NEUROTOXIN A HEAVY CHAIN, MAGNESIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Stenmark, P, Dupuy, J, Stevens, R.C. | | Deposit date: | 2008-05-22 | | Release date: | 2008-08-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of Botulinum Neurotoxin Type a in Complex with the Cell Surface Co-Receptor Gt1B- Insight Into the Toxin-Neuron Interaction.
Plos Pathog., 4, 2008
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3C88
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3DDB
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5L21
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4KUF
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 causing stretch disorder | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, ... | | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V. | | Deposit date: | 2013-05-22 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
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2VUA
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3BWI
 | | Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with an acetate ion bound at the active site | | Descriptor: | ACETATE ION, Botulinum neurotoxin A light chain, SULFATE ION, ... | | Authors: | Kumaran, D, Rawat, R, Swaminathan, S. | | Deposit date: | 2008-01-09 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
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3DS9
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5MK7
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3FUO
 | | The Crystal structure of receptor binding domain of botulinum neurotoxin serotype A | | Descriptor: | Botulinum neurotoxin type A | | Authors: | Fu, Z, Chen, C, Barbieri, J.T, Kim, J.-J.P, Baldwin, M.R. | | Deposit date: | 2009-01-14 | | Release date: | 2009-06-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Glycosylated SV2 and gangliosides as dual receptors for botulinum neurotoxin serotype F
Biochemistry, 48, 2009
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4ELC
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 | | Descriptor: | (2S)-2-hydroxybutanedioic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Botulinum neurotoxin A light chain, ... | | Authors: | Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V. | | Deposit date: | 2012-04-10 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
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4EJ5
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, CARBONATE ION, ... | | Authors: | Stura, E.A, Vera, L, Dive, V. | | Deposit date: | 2012-04-06 | | Release date: | 2012-08-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
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