TY  - JOUR
AU  - Yokoyama, Takeshi
AU  - Ostermann, Andreas
AU  - Mizuguchi, Mineyuki
AU  - Niimura, Nobuo
AU  - Schrader, Tobias E.
AU  - Tanaka, Ichiro
TI  - Crystallization and preliminary neutron diffraction experiment of human farnesyl pyrophosphate synthase complexed with risedronate
JO  - Acta crystallographica / F
VL  - 70
SN  - 1744-3091
CY  - Oxford [u.a.]
PB  - Blackwell
M1  - FZJ-2015-01834
SP  - 470
PY  - 2014
AB  - Nitrogen-containing bisphosphonates (N-BPs), such as risedronate and zoledronate, are currently used as a clinical drug for bone-resorption diseases and are potent inhibitors of farnesyl pyrophosphate synthase (FPPS). X-ray crystallographic analyses of FPPS with N-BPs have revealed that N-BPs bind to FPPS with three magnesium ions and several water molecules. To understand the structural characteristics of N-BPs bound to FPPS, including H atoms and hydration by water, neutron diffraction studies were initiated using BIODIFF at the Heinz Maier-Leibnitz Zentrum (MLZ). FPPS-risedronate complex crystals of approximate dimensions 2.8 × 2.5 × 1.5 mm (~3.5 mm3) were obtained by repeated macro-seeding. Monochromatic neutron diffraction data were collected to 2.4 Å resolution with 98.4% overall completeness. Here, the first successful neutron data collection from FPPS in complex with N-BPs is reported.
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000333757800014
C6  - pmid:24699741
DO  - DOI:10.1107/S2053230X14004087
UR  - https://juser.fz-juelich.de/record/188458
ER  -