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7N18
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BU of 7n18 by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid
分子名称: (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ...
著者Silvaggi, N.R, Allen, K.N.
登録日2021-05-27
公開日2022-07-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease.
Acs Med.Chem.Lett., 12, 2021
1FL3
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BU of 1fl3 by Molmil
CRYSTAL STRUCTURE OF THE BLUE FLUORESCENT ANTIBODY (19G2) IN COMPLEX WITH STILBENE HAPTEN AT 277K
分子名称: 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID, BLUE FLUORESCENT ANTIBODY (19G2)-HEAVY CHAIN, BLUE FLUORESCENT ANTIBODY (19G2)-LIGHT CHAIN
著者Stevens, R.C, Beuscher IV, A.E.
登録日2000-08-11
公開日2000-11-01
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Blue-fluorescent antibodies.
Science, 290, 2000
1I7Z
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BU of 1i7z by Molmil
ANTIBODY GNC92H2 BOUND TO LIGAND
分子名称: CHIMERA OF IG GAMMA-1 CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, CHIMERA OF IG KAPPA CHAIN: HUMAN CONSTANT REGION AND MOUSE VARIABLE REGION, COCAINE
著者Larsen, N.A, Wilson, I.A.
登録日2001-03-12
公開日2001-08-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a cocaine-binding antibody.
J.Mol.Biol., 311, 2001
2NTF
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BU of 2ntf by Molmil
Crystal Structure of a Quorum-Quenching Antibody in Complex with an N-Acyl-L-Homoserine Lactone Analog
分子名称: 3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-YL]DODECANAMIDE, Murine Antibody Fab RS2-1G9 IGG1 Heavy Chain, Murine Antibody Fab RS2-1G9 Lambda Light Chain
著者Debler, E.W, Wilson, I.A.
登録日2006-11-07
公開日2007-05-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Crystal Structures of a Quorum-quenching Antibody.
J.Mol.Biol., 368, 2007
2OP4
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BU of 2op4 by Molmil
Crystal Structure of Quorum-Quenching Antibody 1G9
分子名称: 1,2-ETHANEDIOL, Murine Antibody Fab RS2-1G9 IGG1 Heavy Chain, Murine Antibody Fab RS2-1G9 Lambda Light Chain
著者Kirchdoerfer, R.N, Debler, E.W, Wilson, I.A.
登録日2007-01-26
公開日2007-05-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Crystal Structures of a Quorum-quenching Antibody.
J.Mol.Biol., 368, 2007
2IMC
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BU of 2imc by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain, Residues 1-424
分子名称: Botulinum neurotoxin A light-chain, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMA
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BU of 2ima by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by 2,4-dichlorocinnamic hydroxamate
分子名称: (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2ILP
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BU of 2ilp by Molmil
Clostridium botulinum Serotype A Light Chain inhibited by 4-chlorocinnamic hydroxamate
分子名称: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-03
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
2IMB
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BU of 2imb by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by L-arginine hydroxamate
分子名称: Botulinum neurotoxin A light-chain, N-HYDROXY-L-ARGININAMIDE, ZINC ION
著者Silvaggi, N.R, Allen, K.N.
登録日2006-10-04
公開日2007-06-05
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
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
6XCB
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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2024-10-30
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
6XCC
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Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 21
分子名称: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, 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2024-10-09
実験手法X-RAY DIFFRACTION (1.9 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
6XCD
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BU of 6xcd by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 22
分子名称: Botulinum neurotoxin type A, N-hydroxy-7-sulfanylheptanamide, ZINC ION
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2021-06-09
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.92 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
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2024-11-06
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
5TJR
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BU of 5tjr by Molmil
X-ray Crystal structure of a methylmalonate semialdehyde dehydrogenase from Pseudomonas sp. AAC
分子名称: ADENOSINE-5'-DIPHOSPHATE, Methylmalonate-semialdehyde dehydrogenase
著者Peat, T.S, Newman, J.
登録日2016-10-05
公開日2017-01-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
2AJV
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Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Cocaine
分子名称: Antibody 7A1 Fab', COCAINE
著者Zhu, X, Wilson, I.A.
登録日2005-08-02
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJS
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Crystal structure of cocaine catalytic antibody 7A1 Fab' in complex with heptaethylene glycol
分子名称: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Antibody 7A1 FAB', GLYCEROL, ...
著者Zhu, X, Wilson, I.A.
登録日2005-08-02
公開日2006-02-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJZ
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Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with ecgonine methyl ester
分子名称: 3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER, Antibody 7A1 Fab'
著者Zhu, X, Wilson, I.A.
登録日2005-08-02
公開日2006-02-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJY
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Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with ecgonine methyl ester and benzoic acid
分子名称: 3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER, Antibody 7A1 Fab', BENZOIC ACID, ...
著者Zhu, X, Wilson, I.A.
登録日2005-08-02
公開日2006-02-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AK1
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Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acid
分子名称: Antibody 7A1 Fab', BENZOIC ACID, ZINC ION
著者Zhu, X, Wilson, I.A.
登録日2005-08-02
公開日2006-02-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJX
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Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Transition State Analog
分子名称: 3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER, Antibody 7A1 Fab'
著者Zhu, X, Wilson, I.A.
登録日2005-08-02
公開日2006-02-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJU
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BU of 2aju by Molmil
Cyrstal structure of cocaine catalytic antibody 7A1 Fab'
分子名称: ANTIBODY 7A1 FAB'
著者Zhu, X, Wilson, I.A.
登録日2005-08-02
公開日2006-02-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
7KHN
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NicA2 variant N462Y/W427Y in complex with (S)-nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Tararina, M.A, Allen, K.N.
登録日2020-10-21
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2.
Biochemistry, 60, 2021
7KHO
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NicA2 variant N462V in complex with (S)-nicotine
分子名称: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Tararina, M.A, Allen, K.N.
登録日2020-10-21
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Fast Kinetics Reveals Rate-Limiting Oxidation and the Role of the Aromatic Cage in the Mechanism of the Nicotine-Degrading Enzyme NicA2.
Biochemistry, 60, 2021
1ND0
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CATIONIC CYCLIZATION ANTIBODY 4C6 COMPLEX WITH TRANSITION STATE ANALOG
分子名称: (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide, IMMUNOGLOBULIN IGG2A, SULFATE ION
著者Zhu, X, Wilson, I.A.
登録日2002-12-05
公開日2003-05-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Basis for Antibody Catalysis of a Cationic Cyclization Reaction
J.Mol.Biol., 329, 2003

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