5V8R
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3DSE
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2ILP
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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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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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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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3QIZ
| Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-2 | Descriptor: | (2S,4R)-2-(2-{[3-(4-fluoro-3-methylphenyl)propyl](methyl)amino}ethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide, Botulinum neurotoxin type A, DI(HYDROXYETHYL)ETHER, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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2IMC
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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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3QIY
| Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-1 | Descriptor: | 1,2-ETHANEDIOL, 4-[bis(4-chlorobenzyl)amino]-N-hydroxybutanamide, Botulinum neurotoxin type A, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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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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3QJ0
| Crystal Structure of BoNT/A LC complexed with Hydroxamate-based Inhibitor PT-3 | Descriptor: | (4R)-4-(4-chlorophenoxy)-1-[(4-chlorophenyl)sulfonyl]-N-hydroxy-L-prolinamide, 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ... | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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2IMB
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3QIX
| Crystal Structure of BoNT/A LC with Zinc bound | Descriptor: | 1,2-ETHANEDIOL, Botulinum neurotoxin type A, ZINC ION | Authors: | Thompson, A.A, Han, G.W, Stevens, R.C. | Deposit date: | 2011-01-28 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structural Characterization of Three Novel Hydroxamate-Based Zinc Chelating Inhibitors of the Clostridium botulinum Serotype A Neurotoxin Light Chain Metalloprotease Reveals a Compact Binding Site Resulting from 60/70 Loop Flexibility. Biochemistry, 50, 2011
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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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5V8P
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