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1CF8
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BU of 1cf8 by Molmil
Convergence of catalytic antibody and terpene cyclase mechanisms: polyene cyclization directed by carbocation-pi interactions
Descriptor: 4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-BUTYRIC ACID, CADMIUM ION, PROTEIN (CATALYTIC ANTIBODY 19A4 (HEAVY CHAIN)), ...
Authors:Paschall, C.M, Hasserodt, J, Jones, T, Lerner, R.A, Janda, K.D, Christianson, D.W.
Deposit date:1999-03-24
Release date:1999-07-28
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Convergence of Catalytic Antibody and Terpene Cyclase Mechanisms: Polyene Cyclization Directed by Carbocation-pi Interactions
Angew.Chem.Int.Ed.Engl., 38, 1999
5TTJ
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BU of 5ttj by Molmil
Crystal Structure of Nicotine Oxidoreductase from Pseudomonas putida
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Janda, K.D, Allen, K.N.
Deposit date:2016-11-03
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
5TTK
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BU of 5ttk by Molmil
Crystal Structure of Selenomethionine-incorporated Nicotine Oxidoreductase from Pseudomonas putida
Descriptor: Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Janda, K.D, Allen, K.N.
Deposit date:2016-11-03
Release date:2017-01-25
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Analysis Provides Mechanistic Insight into Nicotine Oxidoreductase from Pseudomonas putida.
Biochemistry, 55, 2016
2G7N
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BU of 2g7n by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A, SILVER ION, ZINC ION
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Light Chain of Botulinum Neurotoxin Serotype A bound to Small Molecule Inhibitors
To be Published
2G7P
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BU of 2g7p by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A, ZINC ION
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
2G7Q
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BU of 2g7q by Molmil
Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A, N-HYDROXY-L-ARGININAMIDE, ZINC ION
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
2G7K
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BU of 2g7k by Molmil
Structure of the Light Chain of Botulinum Neurotoxin, Serotype A Bound to small Molecule Inhibitors
Descriptor: Botulinum neurotoxin type A
Authors:Fu, Z, Baldwin, M.R, Boldt, G.E, Crawford, A, Janda, K.D, Barbieri, J.T, Kim, J.-J.P.
Deposit date:2006-02-28
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Light chain of botulinum neurotoxin serotype A: structural resolution of a catalytic intermediate.
Biochemistry, 45, 2006
1UM4
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BU of 1um4 by Molmil
Catalytic Antibody 21H3 with hapten
Descriptor: (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE, Antibody 21H3 H chain, Antibody 21H3 L chain
Authors:Beuscher IV, A.E, Reuter, J, Olson, A.J, Romesberg, F.E, Schultz, P.G, Wirsching, P, Janda, K.D, Lerner, R.A, Stevens, R.C.
Deposit date:2003-09-23
Release date:2004-10-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Studies of an Efficient Catalytic Antibody Operating by Ping-Pong and Induced Fit Mechanisms
To be Published
1UM6
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BU of 1um6 by Molmil
catalytic antibody 21h3
Descriptor: antibody 21h3, H chain, L chain
Authors:Beuscher IV, A.E, Reuter, J, Olson, A.J, Romesberg, F.E, Schultz, P.G, Wirsching, P, Janda, K.D, Lerner, R.A, Stevens, R.C.
Deposit date:2003-09-23
Release date:2004-10-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Studies of an Efficient Catalytic Antibody Operating by Ping-Pong and Induced Fit Mechanisms
To be Published
1UM5
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BU of 1um5 by Molmil
Catalytic Antibody 21H3 with alcohol substrate
Descriptor: 1-PHENYLETHANOL, Antibody 21H3 H chain, Antibody 21H3 L chain
Authors:Beuscher IV, A.E, Reuter, J, Olson, A.J, Romesberg, F.E, Schultz, P.G, Wirsching, P, Janda, K.D, Lerner, R.A, Stevens, R.C.
Deposit date:2003-09-23
Release date:2004-10-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Studies of an Efficient Catalytic Antibody Operating by Ping-Pong and Induced Fit Mechanisms
To be Published
8TFP
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BU of 8tfp by Molmil
Fab from C10-S66K antibody in complex with carfentanil
Descriptor: Carfentanil, Heavy chain of Fab from C10-S66K antibody, Light chain of Fab from C10-S66K antibody
Authors:Pholcharee, T, Wilson, I.A.
Deposit date:2023-07-11
Release date:2023-08-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An Engineered Human-Antibody Fragment with Fentanyl Pan-Specificity That Reverses Carfentanil-Induced Respiratory Depression.
Acs Chem Neurosci, 14, 2023
8TFR
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BU of 8tfr by Molmil
Apo Fab from C10-S66K antibody
Descriptor: Heavy chain from Fab of C10_S66K antibody, Immunoglobulin G-binding protein G, Light chain from Fab of C10_S66K antibody
Authors:Pholcharee, T, Wilson, I.A.
Deposit date:2023-07-11
Release date:2023-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:An Engineered Human-Antibody Fragment with Fentanyl Pan-Specificity That Reverses Carfentanil-Induced Respiratory Depression.
Acs Chem Neurosci, 14, 2023
8TFQ
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BU of 8tfq by Molmil
Fab from C10-S66K antibody in complex with fentanyl
Descriptor: Heavy chain from Fab of C10_S66K antibody, Light chain from Fab of C10_S66K antibody, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Authors:Pholcharee, T, Wilson, I.A.
Deposit date:2023-07-11
Release date:2023-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Engineered Human-Antibody Fragment with Fentanyl Pan-Specificity That Reverses Carfentanil-Induced Respiratory Depression.
Acs Chem Neurosci, 14, 2023
3QG7
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BU of 3qg7 by Molmil
Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody
Descriptor: AP4-24H11 Antibody Heavy Chain, AP4-24H11 Antibody Light Chain, HEXAETHYLENE GLYCOL, ...
Authors:Kirchdoerfer, R.K, Kaufmann, G.F, Janda, J.D, Wilson, I.A.
Deposit date:2011-01-24
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody.
J.Biol.Chem., 286, 2011
3QG6
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BU of 3qg6 by Molmil
Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody
Descriptor: AP4-24H11 Heavy Chain, AP4-24H11 Light Chain, Agr autoinducing peptide, ...
Authors:Kirchdoerfer, R.N, Janda, J.D, Kaufmann, G.F, Wilson, I.A.
Deposit date:2011-01-24
Release date:2011-03-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody.
J.Biol.Chem., 286, 2011
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
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
6C71
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BU of 6c71 by Molmil
Nicotine Oxidoreductase 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:2018-01-19
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme.
Biochemistry, 57, 2018
1A3L
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BU of 1a3l by Molmil
CATALYSIS OF A DISFAVORED REACTION: AN ANTIBODY EXO DIELS-ALDERASE-TSA-INHIBITOR COMPLEX AT 1.95 A RESOLUTION
Descriptor: 1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE, IMMUNOGLOBULIN FAB 13G5 (HEAVY CHAIN), IMMUNOGLOBULIN FAB 13G5 (LIGHT CHAIN)
Authors:Heine, A, Wilson, I.A.
Deposit date:1998-01-22
Release date:1999-02-16
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An antibody exo Diels-Alderase inhibitor complex at 1.95 angstrom resolution.
Science, 279, 1998
4HEV
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BU of 4hev by Molmil
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
1I7Z
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BU of 1i7z by Molmil
ANTIBODY GNC92H2 BOUND TO LIGAND
Descriptor: 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
Authors:Larsen, N.A, Wilson, I.A.
Deposit date:2001-03-12
Release date:2001-08-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a cocaine-binding antibody.
J.Mol.Biol., 311, 2001
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
Descriptor: 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID, BLUE FLUORESCENT ANTIBODY (19G2)-HEAVY CHAIN, BLUE FLUORESCENT ANTIBODY (19G2)-LIGHT CHAIN
Authors:Stevens, R.C, Beuscher IV, A.E.
Deposit date:2000-08-11
Release date:2000-11-01
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Blue-fluorescent antibodies.
Science, 290, 2000
1NCW
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BU of 1ncw by Molmil
Cationic Cyclization Antibody 4C6 in Complex with Benzoic Acid
Descriptor: BENZOIC ACID, GLYCEROL, IMMUNOGLOBULIN IGG2A
Authors:Zhu, X, Wilson, I.A.
Deposit date:2002-12-05
Release date:2003-05-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Basis for Antibody Catalysis of a Cationic Cyclization Reaction
J.Mol.Biol., 329, 2003

 

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