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3CFE
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BU of 3cfe by Molmil
Crystal structure of purple-fluorescent antibody EP2-25C10
Descriptor: GLYCEROL, PURPLE-FLUORESCENT ANTIBODY EP2-25C10-IGG2B HEAVY CHAIN, PURPLE-FLUORESCENT ANTIBODY EP2-25C10-KAPPA LIGHT CHAIN, ...
Authors:Debler, E.W, Heine, A, Wilson, I.A.
Deposit date:2008-03-03
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex.
Science, 319, 2008
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
Descriptor: 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
Authors:Debler, E.W, Wilson, I.A.
Deposit date:2006-11-07
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.18 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Murine Antibody Fab RS2-1G9 IGG1 Heavy Chain, Murine Antibody Fab RS2-1G9 Lambda Light Chain
Authors:Kirchdoerfer, R.N, Debler, E.W, Wilson, I.A.
Deposit date:2007-01-26
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal Structures of a Quorum-quenching Antibody.
J.Mol.Biol., 368, 2007
3CFB
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BU of 3cfb by Molmil
High-resolution structure of blue fluorescent antibody EP2-19G2 in complex with stilbene hapten at 100K
Descriptor: 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID, BLUE FLUORESCENT ANTIBODY EP2-19G2-IGG2B HEAVY CHAIN, BLUE FLUORESCENT ANTIBODY EP2-19G2-KAPPA LIGHT CHAIN, ...
Authors:Debler, E.W, Wilson, I.A.
Deposit date:2008-03-03
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex.
Science, 319, 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
Descriptor: Botulinum neurotoxin type A, N-hydroxy-6-sulfanylhexanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCC
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BU of 6xcc by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 21
Descriptor: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Botulinum neurotoxin type A, N-hydroxy-7-sulfanylheptanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCE
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BU of 6xce by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 53
Descriptor: (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide, Botulinum neurotoxin type A
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
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
Descriptor: (3R)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-pentylpentanediamide, Botulinum neurotoxin type A, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
2AJU
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BU of 2aju by Molmil
Cyrstal structure of cocaine catalytic antibody 7A1 Fab'
Descriptor: ANTIBODY 7A1 FAB'
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJV
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BU of 2ajv by Molmil
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Cocaine
Descriptor: Antibody 7A1 Fab', COCAINE
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJS
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BU of 2ajs by Molmil
Crystal structure of cocaine catalytic antibody 7A1 Fab' in complex with heptaethylene glycol
Descriptor: 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Antibody 7A1 FAB', GLYCEROL, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJZ
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BU of 2ajz by Molmil
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with ecgonine methyl ester
Descriptor: 3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER, Antibody 7A1 Fab'
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJY
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BU of 2ajy by Molmil
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with ecgonine methyl ester and benzoic acid
Descriptor: 3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER, Antibody 7A1 Fab', BENZOIC ACID, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AK1
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BU of 2ak1 by Molmil
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with benzoic acid
Descriptor: Antibody 7A1 Fab', BENZOIC ACID, ZINC ION
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2AJX
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BU of 2ajx by Molmil
Crystal Structure of Cocaine catalytic Antibody 7A1 Fab' in Complex with Transition State Analog
Descriptor: 3-(HYDROXY-PHENYL-PHOSPHINOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER, Antibody 7A1 Fab'
Authors:Zhu, X, Wilson, I.A.
Deposit date:2005-08-02
Release date:2006-02-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Complete reaction cycle of a cocaine catalytic antibody at atomic resolution.
Structure, 14, 2006
2IMA
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BU of 2ima by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by 2,4-dichlorocinnamic hydroxamate
Descriptor: (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.94 Å)
Cite: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
Descriptor: (2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE, Botulinum neurotoxin A light-chain, PHOSPHATE ION, ...
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-03
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
5TJR
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BU of 5tjr by Molmil
X-ray Crystal structure of a methylmalonate semialdehyde dehydrogenase from Pseudomonas sp. AAC
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Methylmalonate-semialdehyde dehydrogenase
Authors:Peat, T.S, Newman, J.
Deposit date:2016-10-05
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
2IMC
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BU of 2imc by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain, Residues 1-424
Descriptor: Botulinum neurotoxin A light-chain, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Botulinum neurotoxin A light-chain, N-HYDROXY-L-ARGININAMIDE, ZINC ION
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2006-10-04
Release date:2007-06-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of Clostridium botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility.
Chem.Biol., 14, 2007
5VGX
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BU of 5vgx by Molmil
Structure of the C. botulinum neurotoxin serotype A with Hg bound
Descriptor: ACETATE ION, Botulinum neurotoxin type A, MERCURY (II) ION
Authors:Carolan, J.P, Allen, K.N.
Deposit date:2017-04-11
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5VGV
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BU of 5vgv by Molmil
Structure of the C. botulinum neurotoxin serotype A with Cu bound
Descriptor: ACETATE ION, Botulinum neurotoxin type A, COPPER (II) ION
Authors:Carolan, J.P, Allen, K.N.
Deposit date:2017-04-11
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Metal Ions Effectively Ablate the Action of Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
7KHO
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BU of 7kho by Molmil
NicA2 variant N462V in complex with (S)-nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-10-21
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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
7KHN
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BU of 7khn by Molmil
NicA2 variant N462Y/W427Y in complex with (S)-nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-10-21
Release date:2021-02-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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

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