3RDC

Human Cyclophilin D Complexed with an Inhibitor

3RDC の概要

• エントリーDOI: 10.2210/pdb3rdc/pdb
• 関連するPDBエントリー: 3R49 3R4G 3R54 3R56 3R57 3R59 3RCF 3RCG 3RCI 3RCK 3RCL 3RD9 3RDA 3RDB 3RDD
• 分子名称: Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate (3 entities in total)
• 機能のキーワード: beta barrel, prolyl cis/trans isomerase, mitochondria, inhibitor, isomerase-isomerase inhibitor complex, isomerase/isomerase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Mitochondrion matrix : P30405
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 18121.68

構造登録者

Colliandre, L.,Ahmed-Belkacem, H.,Bessin, Y.,Pawlotsky, J.M.,Guichou, J.F. (登録日: 2011-04-01, 公開日: 2012-03-21, 最終更新日: 2023-09-13)

主引用文献

Gelin, M.,Delfosse, V.,Allemand, F.,Hoh, F.,Sallaz-Damaz, Y.,Pirocchi, M.,Bourguet, W.,Ferrer, J.L.,Labesse, G.,Guichou, J.F.
Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71:1777-1787, 2015

PubMed 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.

PubMed: 26249358
DOI: 10.1107/S1399004715010342

実験手法

X-RAY DIFFRACTION (1.94 Å)