4XRJ: Crystal Structure Of Erk2 In Complex With An Inhibitor

Citation:
Abstract
X-ray crystallography is an established technique for ligand screening in fragment-based drug-design projects, but the required manual handling steps - soaking crystals with ligand and the subsequent harvesting - are tedious and limit the throughput of the process. Here, an alternative approach is reported: crystallization plates are pre-coated with potential binders prior to protein crystallization and X-ray diffraction is performed directly `in situ' (or in-plate). Its performance is demonstrated on distinct and relevant therapeutic targets currently being studied for ligand screening by X-ray crystallography using either a bending-magnet beamline or a rotating-anode generator. The possibility of using DMSO stock solutions of the ligands to be coated opens up a route to screening most chemical libraries.
PDB ID: 4XRJDownload
MMDB ID: 131679
PDB Deposition Date: 2015/1/21
Updated in MMDB: 2015/08
Experimental Method:
x-ray diffraction
Resolution: 1.69  Å
Source Organism:
Similar Structures:
Biological Unit for 4XRJ: monomeric; determined by software (PISA)
Molecular Components in 4XRJ
Label Count Molecule
Protein (1 molecule)
1
Mitogen-activated Protein Kinase 1(Gene symbol: Mapk1)
Molecule annotation
Chemicals (2 molecules)
1
1
2
1
* Click molecule labels to explore molecular sequence information.

Citing MMDB
.