1UM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1um4 by Molmil](/molmil-images/mine/1um4) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1um6 by Molmil](/molmil-images/mine/1um6) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1um5 by Molmil](/molmil-images/mine/1um5) | 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
|
|
1CF8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1cf8 by Molmil](/molmil-images/mine/1cf8) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ttj by Molmil](/molmil-images/mine/5ttj) | |
5TTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ttk by Molmil](/molmil-images/mine/5ttk) | |
2G7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g7n by Molmil](/molmil-images/mine/2g7n) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g7p by Molmil](/molmil-images/mine/2g7p) | 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
|
|
2G7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g7k by Molmil](/molmil-images/mine/2g7k) | 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
|
|
2G7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2g7q by Molmil](/molmil-images/mine/2g7q) | 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
|
|
3QG7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qg7 by Molmil](/molmil-images/mine/3qg7) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qg6 by Molmil](/molmil-images/mine/3qg6) | 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
|
|
8TFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tfr by Molmil](/molmil-images/mine/8tfr) | 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
|
|
8TFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tfp by Molmil](/molmil-images/mine/8tfp) | 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
|
|
8TFQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tfq by Molmil](/molmil-images/mine/8tfq) | 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
|
|
1A3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a3l by Molmil](/molmil-images/mine/1a3l) | |
7N18
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n18 by Molmil](/molmil-images/mine/7n18) | Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid | Descriptor: | (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ... | Authors: | Silvaggi, N.R, Allen, K.N. | Deposit date: | 2021-05-27 | Release date: | 2022-07-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease. Acs Med.Chem.Lett., 12, 2021
|
|
6C71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c71 by Molmil](/molmil-images/mine/6c71) | 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
|
|
1NCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ncw by Molmil](/molmil-images/mine/1ncw) | |
4HEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hev by Molmil](/molmil-images/mine/4hev) | 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
|
|
1ND0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nd0 by Molmil](/molmil-images/mine/1nd0) | |
1I7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1i7z by Molmil](/molmil-images/mine/1i7z) | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fl3 by Molmil](/molmil-images/mine/1fl3) | |
3CFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cfc by Molmil](/molmil-images/mine/3cfc) | High-resolution structure of blue fluorescent antibody EP2-19G2 | Descriptor: | BLUE FLUORESCENT ANTIBODY EP2-19G2-IGG2B HEAVY CHAIN, BLUE FLUORESCENT ANTIBODY EP2-19G2-KAPPA LIGHT CHAIN, GLYCEROL | 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 (1.7 Å) | Cite: | Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex. Science, 319, 2008
|
|
3CFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cfe by Molmil](/molmil-images/mine/3cfe) | 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
|
|