4E3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e3m by Molmil](/molmil-images/mine/4e3m) | |
4E3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e3o by Molmil](/molmil-images/mine/4e3o) | |
4EKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ekq by Molmil](/molmil-images/mine/4ekq) | T4 Lysozyme L99A/M102H with 4-Nitrophenol Bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-04-09 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Engineering a model protein cavity to catalyze the Kemp elimination. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4EKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ekp by Molmil](/molmil-images/mine/4ekp) | T4 Lysozyme L99A/M102H with Nitrobenzene Bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-04-09 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Engineering a model protein cavity to catalyze the Kemp elimination. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4E3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e3i by Molmil](/molmil-images/mine/4e3i) | |
4E3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e3l by Molmil](/molmil-images/mine/4e3l) | |
4E3K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e3k by Molmil](/molmil-images/mine/4e3k) | |
4E3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e3n by Molmil](/molmil-images/mine/4e3n) | |
4E97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e97 by Molmil](/molmil-images/mine/4e97) | |
4EKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eks by Molmil](/molmil-images/mine/4eks) | T4 Lysozyme L99A/M102H with Isoxazole Bound | Descriptor: | 1,2-benzisoxazole, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-04-09 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Engineering a model protein cavity to catalyze the Kemp elimination. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4EKR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ekr by Molmil](/molmil-images/mine/4ekr) | T4 Lysozyme L99A/M102H with 2-Cyanophenol Bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 2-hydroxybenzonitrile, ACETATE ION, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-04-09 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Engineering a model protein cavity to catalyze the Kemp elimination. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4I7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7j by Molmil](/molmil-images/mine/4i7j) | T4 Lysozyme L99A/M102H with benzene bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BENZENE, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
|
|
4I7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7r by Molmil](/molmil-images/mine/4i7r) | |
4I7T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7t by Molmil](/molmil-images/mine/4i7t) | |
4I7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7n by Molmil](/molmil-images/mine/4i7n) | T4 Lysozyme L99A/M102H with 1-phenyl-2-propyn-1-ol bound | Descriptor: | (1R)-1-phenylprop-2-yn-1-ol, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
|
|
4I7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7o by Molmil](/molmil-images/mine/4i7o) | |
4I7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7m by Molmil](/molmil-images/mine/4i7m) | T4 Lysozyme L99A/M102H with 2-allylphenol bound | Descriptor: | 2-ALLYLPHENOL, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
|
|
4I7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7k by Molmil](/molmil-images/mine/4i7k) | T4 Lysozyme L99A/M102H with toluene bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
|
|
4I7P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7p by Molmil](/molmil-images/mine/4i7p) | T4 Lysozyme L99A/M102H with 4-bromoimidazole bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 4-bromo-1H-imidazole, ACETATE ION, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
|
|
4I7Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7q by Molmil](/molmil-images/mine/4i7q) | |
4I7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4i7l by Molmil](/molmil-images/mine/4i7l) | T4 Lysozyme L99A/M102H with phenol bound | Descriptor: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | Authors: | Merski, M, Shoichet, B.K. | Deposit date: | 2012-11-30 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
|
|
4OKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4okp by Molmil](/molmil-images/mine/4okp) | |
1KE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ke0 by Molmil](/molmil-images/mine/1ke0) | |
1KVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1kvm by Molmil](/molmil-images/mine/1kvm) | X-ray Crystal Structure of AmpC WT beta-Lactamase in Complex with Covalently Bound Cephalothin | Descriptor: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, PHOSPHATE ION, beta-lactamase | Authors: | Beadle, B.M, Trehan, I, Focia, P.J, Shoichet, B.K. | Deposit date: | 2002-01-27 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural milestones in the reaction pathway of an amide hydrolase: substrate, acyl, and product complexes of cephalothin with AmpC beta-lactamase. Structure, 10, 2002
|
|
1KE4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ke4 by Molmil](/molmil-images/mine/1ke4) | |