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PDB: 73 件

6XCE
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Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 53
分子名称: (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide, Botulinum neurotoxin type A
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
5V8P
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Small Molecule Inhibitor ABS-143 Bound to the Botulinum Neurotoxin Serotype A Light Chain
分子名称: Botulinum neurotoxin type A, N-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-2-sulfanylacetamide, ZINC ION
著者Allen, K.N, Silvaggi, N.R.
登録日2017-03-22
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Small molecule metalloprotease inhibitor with in vitro, ex vivo and in vivo efficacy against botulinum neurotoxin serotype A.
Toxicon, 137, 2017
4KTX
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Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S mutant with covalent inhibitor that modifies Cys-165 causing disorder in 167-174 stretch
分子名称: Botulinum neurotoxin A light chain, GLYCEROL, Peptide inhibitor MPT-DPP-ARG-G-LEU-NH2, ...
著者Stura, E.A, Vera, L, Guitot, K, Dive, V.
登録日2013-05-21
公開日2014-10-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
2W2D
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Crystal Structure of a Catalytically Active, Non-toxic Endopeptidase Derivative of Clostridium botulinum Toxin A
分子名称: ACETATE ION, BOTULINUM NEUROTOXIN A HEAVY CHAIN, BOTULINUM NEUROTOXIN A LIGHT CHAIN, ...
著者Masuyer, G, Thiyagarajan, N, James, P.L, Marks, P.M.H, Chaddock, J.A, Acharya, K.R.
登録日2008-10-29
公開日2009-03-24
最終更新日2022-05-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structure of a Catalytically Active, Non-Toxic Endopeptidase Derivative of Clostridium Botulinum Toxin A.
Biochem.Biophys.Res.Commun., 381, 2009
5VGV
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Structure of the C. botulinum neurotoxin serotype A with Cu bound
分子名称: ACETATE ION, Botulinum neurotoxin type A, COPPER (II) ION
著者Carolan, J.P, Allen, K.N.
登録日2017-04-11
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5TPB
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BU of 5tpb by Molmil
Binding domain of BoNT/A complexed with ganglioside variant
分子名称: Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
著者Berntsson, R.P.-A, Svensson, L.M, Stenmark, P.
登録日2016-10-20
公開日2017-01-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
3K3Q
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Crystal Structure of a Llama Antibody complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain
分子名称: Botulinum neurotoxin type A, ZINC ION, llama Aa1 VHH domain
著者Thompson, A.A, Dong, J, Marks, J.D, Stevens, R.C.
登録日2009-10-04
公開日2010-02-23
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Single-Domain Llama Antibody Potently Inhibits the Enzymatic Activity of Botulinum Neurotoxin by Binding to the Non-Catalytic alpha-Exosite Binding Region.
J.Mol.Biol., 397, 2010
2NYY
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Crystal structure of botulinum neurotoxin type A complexed with monoclonal antibody CR1
分子名称: Botulinum neurotoxin type A, CALCIUM ION, CR1 monoclonal antibody, ...
著者Stevens, R.C, Arndt, J.W.
登録日2006-11-21
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Molecular evolution of antibody cross-reactivity for two subtypes of type A botulinum neurotoxin.
Nat.Biotechnol., 25, 2007
5JMC
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Receptor binding domain of Botulinum neurotoxin A in complex with rat SV2C
分子名称: Botulinum neurotoxin type A, Synaptic vesicle glycoprotein 2C
著者Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R.
登録日2016-04-28
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
6DKK
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Structure of BoNT
分子名称: Botulinum neurotoxin type A, PHOSPHATE ION
著者Lam, K, Jin, R.
登録日2018-05-29
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
8HKH
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Crystal structure of the LC/A1-DARPin18 complex
分子名称: BoNT/A, Designed ankyrin repeat protein 18, ZINC ION
著者Wu, Y, Leka, O, Kammerer, R.
登録日2022-11-26
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A DARPin Increases the Catalytic Activity of BoNT/A1
To Be Published
3V0A
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BU of 3v0a by Molmil
2.7 angstrom crystal structure of BoNT/Ai in complex with NTNHA
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BoNT/A, CALCIUM ION, ...
著者Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R.
登録日2011-12-07
公開日2012-03-14
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
3ZUR
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Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative, LC0-A-SNAP25-Hn-A
分子名称: BOTULINUM NEUROTOXIN TYPE A, SYNAPTOSOMAL-ASSOCIATED PROTEIN, SULFATE ION
著者Masuyer, G, Stancombe, P, Chaddock, J.A, Acharya, K.R.
登録日2011-07-19
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structures of Engineered Clostridium Botulinum Neurotoxin Derivatives
Acta Crystallogr.,Sect.F, 67, 2011
7M1H
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BU of 7m1h by Molmil
Crystal structure of LC/A-JPU-C10-JPU-D12-JPU-B8-JPU-G3-ciA-F12-ciA-D12
分子名称: Botulinum neurotoxin A light chain, JPU-B8, JPU-C10, ...
著者Lam, K, Jin, R.
登録日2021-03-13
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
7KY2
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BU of 7ky2 by Molmil
Botulism Neurooxin Light Chain A app form
分子名称: Bont/A1, ZINC ION
著者Ortega, M.E, Salazameda, N.T.
登録日2020-12-07
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Discovery of Dipeptides as Potent Botulinum Neurotoxin A Light-Chain Inhibitors.
Acs Med.Chem.Lett., 12, 2021
7LZP
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BU of 7lzp by Molmil
LC/A-JPU-B9-JPU-A11-JPU-G11
分子名称: Botulinum neurotoxin A light chain, JPU-A11, JPU-B9, ...
著者Lam, K, Jin, R.
登録日2021-03-10
公開日2021-12-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
7KYH
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BU of 7kyh by Molmil
Botulism Neurooxin Light Chain A app form
分子名称: Bont/A1, N-[(3,5-dichlorophenyl)sulfonyl]-L-phenylalanyl-N-hydroxy-L-valinamide, ZINC ION
著者Ortega, M.E, Salzameda, N.T.
登録日2020-12-07
公開日2021-04-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Discovery of Dipeptides as Potent Botulinum Neurotoxin A Light-Chain Inhibitors.
Acs Med.Chem.Lett., 12, 2021
3ZUS
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BU of 3zus by Molmil
Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative, LC-A-SNAP23-Hn-A
分子名称: BOTULINUM NEUROTOXIN TYPE A, SYNAPTOSOMAL-ASSOCIATED PROTEIN 23, ZINC ION
著者Masuyer, G, Stancombe, P, Chaddock, J.A, Acharya, K.R.
登録日2011-07-19
公開日2011-12-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structures of Engineered Clostridium Botulinum Neurotoxin Derivatives
Acta Crystallogr.,Sect.F, 67, 2011
6MHJ
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BU of 6mhj by Molmil
Structure of BoNT mutant
分子名称: Botulinum neurotoxin type A, PHOSPHATE ION
著者Lam, K, Jin, R.
登録日2018-09-18
公開日2018-12-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.019 Å)
主引用文献A viral-fusion-peptide-like molecular switch drives membrane insertion of botulinum neurotoxin A1.
Nat Commun, 9, 2018
3BTA
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BU of 3bta by Molmil
CRYSTAL STRUCTURE OF BOTULINUM NEUROTOXIN SEROTYPE A
分子名称: PROTEIN (BOTULINUM NEUROTOXIN TYPE A), ZINC ION
著者Stevens, R.C, Lacy, D.B.
登録日1998-08-12
公開日1999-10-01
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of botulinum neurotoxin type A and implications for toxicity.
Nat.Struct.Biol., 5, 1998
2NZ9
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Crystal structure of botulinum neurotoxin type A complexed with monoclonal antibody AR2
分子名称: AR2 monoclonal antibody, Botulinum neurotoxin type A, CALCIUM ION, ...
著者Stevens, R.C, Arndt, J.W.
登録日2006-11-22
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.79 Å)
主引用文献Molecular evolution of antibody cross-reactivity for two subtypes of type A botulinum neurotoxin.
Nat.Biotechnol., 25, 2007
3V0B
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3.9 angstrom crystal structure of BoNT/Ai in complex with NTNHA
分子名称: BoNT/A, CALCIUM ION, NTNH, ...
著者Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R.
登録日2011-12-07
公開日2012-03-14
最終更新日2013-09-25
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
3V0C
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4.3 angstrom crystal structure of an inactive BoNT/A (E224Q/R363A/Y366F)
分子名称: BoNT/A, ZINC ION
著者Gu, S, Rumpel, S, Zhou, J, Strotmeier, J, Bigalke, H, Perry, K, Shoemaker, C.B, Rummel, A, Jin, R.
登録日2011-12-07
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Botulinum neurotoxin is shielded by NTNHA in an interlocked complex.
Science, 335, 2012
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