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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6XCC
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2ILP
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3DSE
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5V8R
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6XCD
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4KS6
 | | Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 166-174 stretch | | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Stura, E.A, Vera, L, Guitot, K, Dive, V. | | Deposit date: | 2013-05-17 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
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4ZJX
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2IMC
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5TPC
 | | Binding domain of BoNT/A complexed with ganglioside | | Descriptor: | Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose | | Authors: | Berntsson, R.P.-A, Svensson, L.M, Stenmark, P. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
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5JLV
 | | Receptor binding domain of Botulinum neurotoxin A in complex with human glycosylated SV2C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R. | | Deposit date: | 2016-04-27 | | Release date: | 2016-06-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
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7L6V
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6UL6
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7N18
 | | Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid | | Descriptor: | (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ... | | Authors: | Silvaggi, N.R, Allen, K.N. | | Deposit date: | 2021-05-27 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease.
Acs Med.Chem.Lett., 12, 2021
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5V8U
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1XTG
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5VGX
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1XTF
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6UI1
 | | Crystal structure of BoNT/A-LCHn domain in complex with VHH ciA-D12, ciA-B5, and ciA-H7 | | Descriptor: | BoNT/A, ciA-B5, ciA-D12, ... | | Authors: | Lam, K, Jin, R. | | Deposit date: | 2019-09-29 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.20000863 Å) | | Cite: | Structural Insights into Rational Design of Single-Domain Antibody-Based Antitoxins against Botulinum Neurotoxins
Cell Rep, 30, 2020
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4JRA
 | | CRYSTAL STRUCTURE OF THE BOTULINUM NEUROTOXIN A RECEPTOR-BINDING DOMAIN IN COMPLEX WITH THE LUMINAL DOMAIN Of SV2C | | Descriptor: | Botulinum neurotoxin type A, CHLORIDE ION, SODIUM ION, ... | | Authors: | Benoit, R.M, Frey, D, Wieser, M.M, Jaussi, R, Schertler, G.F.X, Capitani, G, Kammerer, R.A. | | Deposit date: | 2013-03-21 | | Release date: | 2013-11-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for recognition of synaptic vesicle protein 2C by botulinum neurotoxin A.
Nature, 505, 2014
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4IQP
 | | Crystal Structure of HCRA-W1266A | | Descriptor: | Botulinum neurotoxin type A, GLYCEROL | | Authors: | Fu, Z, Kroken, A.R, Barbieri, J.T, Kim, J.-J.P. | | Deposit date: | 2013-01-12 | | Release date: | 2013-05-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Enhancing the Protective Immune Response against Botulism.
Infect.Immun., 81, 2013
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7KYF
 | | Botulism Neurooxin Light Chain A app form | | Descriptor: | Bont/A1, N-[(3,5-dichlorophenyl)sulfonyl]-L-isoleucyl-N-hydroxy-L-norvalinamide, ZINC ION | | Authors: | Ortega, M.E, Salzameda, N.T. | | Deposit date: | 2020-12-07 | | Release date: | 2021-04-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Discovery of Dipeptides as Potent Botulinum Neurotoxin A Light-Chain Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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2IMB
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4HEV
 | | Clostridium Botulinum Serotype A Light Chain Inhibited By Adamantane Hydroxamate | | Descriptor: | Botulinum neurotoxin type A light chain, N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide, ZINC ION | | Authors: | Silvaggi, N.R, Allen, K.N. | | Deposit date: | 2012-10-04 | | Release date: | 2013-01-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Evaluation of adamantane hydroxamates as botulinum neurotoxin inhibitors: synthesis, crystallography, modeling, kinetic and cellular based studies.
Bioorg.Med.Chem., 21, 2013
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