6TTQ

PKM2 in complex with Compound 10

Summary for 6TTQ

• Entry DOI: 10.2210/pdb6ttq/pdb
• EMDB information: 10575 10576 10577 10584
• Descriptor: Pyruvate kinase PKM, 1-propan-2-yl-3-pyridin-4-yl-urea, 1,6-di-O-phosphono-beta-D-fructofuranose, ... (4 entities in total)
• Functional Keywords: pkm2, fbdd, cytosolic protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 241404.62

Authors

Saur, M.,Hartshorn, M.J.,Dong, J.,Reeks, J.,Bunkoczi, G.,Jhoti, H.,Williams, P.A. (deposition date: 2019-12-30, release date: 2020-01-15, Last modification date: 2024-05-22)

Primary citation

Saur, M.,Hartshorn, M.J.,Dong, J.,Reeks, J.,Bunkoczi, G.,Jhoti, H.,Williams, P.A.
Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25:485-490, 2020

PubMed Abstract: Recent advances in electron cryo-microscopy (cryo-EM) structure determination have pushed the resolutions obtainable by the method into the range widely considered to be of utility for drug discovery. Here, we review the use of cryo-EM in fragment-based drug discovery (FBDD) based on in-house method development. We demonstrate not only that cryo-EM can reveal details of the molecular interactions between fragments and a protein, but also that the current reproducibility, quality, and throughput are compatible with FBDD. We exemplify this using the test system β-galactosidase (Bgal) and the oncology target pyruvate kinase 2 (PKM2).

PubMed: 31877353
DOI: 10.1016/j.drudis.2019.12.006

Experimental method

ELECTRON MICROSCOPY (2.7 Å)