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PDB: 73 件
3BON
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BU of 3bon by Molmil
Structure of the C. botulinum neurotoxin serotype A with Zn2+ cofactor bound
分子名称: Neurotoxin A, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2007-12-17
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
4EL4
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BU of 4el4 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S/C165S double mutant
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, GLYCEROL, ...
著者Stura, E.A, Vera, L, Ptchelkine, D, Dive, V.
登録日2012-04-10
公開日2012-08-15
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Framework for Covalent Inhibition of Clostridium botulinum Neurotoxin A by Targeting Cys165.
J.Biol.Chem., 287, 2012
3BOK
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BU of 3bok by Molmil
Structure of the C. botulinum neurotoxin serotype A apo-enzyme
分子名称: Neurotoxin A
著者Silvaggi, N.R, Allen, K.N.
登録日2007-12-17
公開日2008-05-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
3BOO
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BU of 3boo by Molmil
Structure of the C. botulinum neurotoxin serotype A with an inhibitory peptide bound
分子名称: N-Ac-CRATKML inhibitory peptide, Neurotoxin A, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2007-12-17
公開日2008-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Catalytic features of the botulinum neurotoxin A light chain revealed by high resolution structure of an inhibitory peptide complex.
Biochemistry, 47, 2008
5MK6
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BU of 5mk6 by Molmil
Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form 1)
分子名称: Botulinum neurotoxin type A, SODIUM ION
著者Davies, J.R, Acharya, K.R.
登録日2016-12-02
公開日2018-03-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献High resolution crystal structures of the receptor-binding domain ofClostridium botulinumneurotoxin serotypes A and FA.
PeerJ, 6, 2018
3C8B
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BU of 3c8b by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGI
分子名称: Botulinum neurotoxin A light chain, Inhibitor peptide RRGI, SULFATE ION, ...
著者Kumaran, D, Swaminathan, S.
登録日2008-02-11
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
3QW7
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BU of 3qw7 by Molmil
Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRFC
分子名称: Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ...
著者Kumaran, D, Swaminathan, S.
登録日2011-02-27
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
3DDA
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BU of 3dda by Molmil
Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a snap-25 peptide
分子名称: Botulinum neurotoxin A light chain, SULFATE ION, Synaptosomal-associated protein 25, ...
著者Kumaran, D, Swaminathan, S.
登録日2008-06-05
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Substrate binding mode and its implication on drug design for botulinum neurotoxin A
Plos Pathog., 4, 2008
3C8A
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BU of 3c8a by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGL
分子名称: Botulinum neurotoxin A light chain, Inhibitor peptide RRGL, SULFATE ION, ...
著者Kumaran, D, Swaminathan, S.
登録日2008-02-11
公開日2008-04-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
3C89
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BU of 3c89 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGM
分子名称: Botulinum neurotoxin A light chain, Inhibitor peptide RRGM, SULFATE ION, ...
著者Kumaran, D, Swaminathan, S.
登録日2008-02-11
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
3QW5
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BU of 3qw5 by Molmil
Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRGF
分子名称: Botulinum neurotoxin type A, SULFATE ION, ZINC ION, ...
著者Kumaran, D, Swaminathan, S.
登録日2011-02-26
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
3QW8
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BU of 3qw8 by Molmil
Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor CRGC
分子名称: 1,2-ETHANEDIOL, Botulinum neurotoxin type A, SODIUM ION, ...
著者Kumaran, D, Swaminathan, S.
登録日2011-02-27
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
3QW6
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BU of 3qw6 by Molmil
Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RYGC
分子名称: Botulinum neurotoxin type A, SODIUM ION, SULFATE ION, ...
著者Kumaran, D, Swaminathan, S.
登録日2011-02-26
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Peptide inhibitors of botulinum neurotoxin serotype A: design, inhibition, cocrystal structures, structure-activity relationship and pharmacophore modeling.
Acta Crystallogr.,Sect.D, 68, 2012
2VU9
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BU of 2vu9 by Molmil
CRYSTAL STRUCTURE OF BOTULINUM NEUROTOXIN SEROTYPE A BINDING DOMAIN IN COMPLEX WITH GT1B
分子名称: 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
著者Stenmark, P, Dupuy, J, Stevens, R.C.
登録日2008-05-22
公開日2008-08-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
3C88
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BU of 3c88 by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGC
分子名称: Botulinum neurotoxin A light chain, Inhibitor peptide RRGC, SODIUM ION, ...
著者Kumaran, D, Swaminathan, S.
登録日2008-02-11
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
3DDB
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BU of 3ddb by Molmil
Crystal structure of the catalytic domain of Botulinum neurotoxin serotype a with a substrate analog peptide
分子名称: Botulinum neurotoxin A light chain, SULFATE ION, Synaptosomal-associated protein 25, ...
著者Kumaran, D, Swaminathan, S.
登録日2008-06-05
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate binding mode and its implication on drug design for botulinum neurotoxin A
Plos Pathog., 4, 2008
5L21
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BU of 5l21 by Molmil
Crystal structure of BoNT/A receptor binding domain in complex with VHH C2
分子名称: Botulinum neurotoxin type A, VHH-C2
著者Yao, G, Jin, R.
登録日2016-07-29
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A camelid single-domain antibody neutralizes botulinum neurotoxin A by blocking host receptor binding.
Sci Rep, 7, 2017
6XCF
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BU of 6xcf by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with noncovalent inhibitor 59
分子名称: (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide, Botulinum neurotoxin type A, ZINC ION
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 (1.68 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
4KUF
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BU of 4kuf by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 causing stretch disorder
分子名称: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, Botulinum neurotoxin A light chain, ...
著者Stura, E.A, Vera, L, Ptchelkine, D, Bakirci, H, Garcia, S, Dive, V.
登録日2013-05-22
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.697 Å)
主引用文献Covalent modification of the active site cysteine stresses Clostridium botulinum neurotoxin A
To be Published
2VUA
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BU of 2vua by Molmil
Crystal Structure of the Botulinum Neurotoxin Serotype A binding domain
分子名称: BOTULINUM NEUROTOXIN A HEAVY CHAIN
著者Stenmark, P, Dupuy, J, Stevens, R.C.
登録日2008-05-22
公開日2008-08-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
3BWI
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BU of 3bwi by Molmil
Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with an acetate ion bound at the active site
分子名称: ACETATE ION, Botulinum neurotoxin A light chain, SULFATE ION, ...
著者Kumaran, D, Rawat, R, Swaminathan, S.
登録日2008-01-09
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
6XCB
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BU of 6xcb by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 20
分子名称: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
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 (1.74 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
3DS9
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A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
分子名称: Botulinum neurotoxin type A, NICKEL (II) ION, ZINC ION, ...
著者Zuniga, J.E, Fenn, T.
登録日2008-07-11
公開日2008-09-30
最終更新日2024-07-10
実験手法X-RAY DIFFRACTION (1.758 Å)
主引用文献A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has a Very Different Conformation than SNAP-25 Substrate
Structure, 16, 2008
5MK7
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BU of 5mk7 by Molmil
Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form 2)
分子名称: Botulinum neurotoxin type A
著者Davies, J.R, Acharya, K.R.
登録日2016-12-02
公開日2018-03-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High resolution crystal structures of the receptor-binding domain ofClostridium botulinumneurotoxin serotypes A and FA.
PeerJ, 6, 2018
3FUO
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BU of 3fuo by Molmil
The Crystal structure of receptor binding domain of botulinum neurotoxin serotype A
分子名称: Botulinum neurotoxin type A
著者Fu, Z, Chen, C, Barbieri, J.T, Kim, J.-J.P, Baldwin, M.R.
登録日2009-01-14
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Glycosylated SV2 and gangliosides as dual receptors for botulinum neurotoxin serotype F
Biochemistry, 48, 2009

 

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