4XNC: Crystal Structure At Room Temperature Of Cyclophilin D In Complex With An Inhibitor

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: 4XNCDownload
MMDB ID: 131671
PDB Deposition Date: 2015/1/15
Updated in MMDB: 2015/08
Experimental Method:
x-ray diffraction
Resolution: 2.23  Å
Source Organism:
Similar Structures:
Biological Unit for 4XNC: monomeric; determined by software (PISA)
Molecular Components in 4XNC
Label Count Molecule
Protein (1 molecule)
Peptidyl-prolyl Cis-trans Isomerase F, Mitochondrial(Gene symbol: PPIF)
Molecule annotation
Chemical (1 molecule)
* Click molecule labels to explore molecular sequence information.

Citing MMDB