7EMJ

Crystal structure of T2R-TTL-Barbigerone complex

Summary for 7EMJ

• Entry DOI: 10.2210/pdb7emj/pdb
• Descriptor: Tubulin alpha-1B chain, GUANOSINE-5'-DIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... (12 entities in total)
• Functional Keywords: tubulin, cancer, cell cycle-inhibitor complex, cell cycle/inhibitor
• Biological source: Rattus norvegicus (Rat); More
• Total number of polymer chains: 6
• Total formula weight: 270197.82

Authors

Yang, J.H.,Yan, W. (deposition date: 2021-04-14, release date: 2022-04-20, Last modification date: 2024-07-10)

Primary citation

Yan, W.,Li, Y.,Liu, Y.,Wen, Y.,Pei, H.,Yang, J.,Chen, L.
Crystal structure of tubulin-barbigerone complex enables rational design of potent anticancer agents with isoflavone skeleton.
Phytomedicine, 109:154550-154550, 2023

PubMed Abstract: Isoflavones possess many biological activities, including anti-inflammatory and anticancer effects. Microtubules (composed of αβ-tubulin heterodimers) are described as one possible cellular target of some of these isoflavones. However, the binding of tubulin to isoflavones has not been extensively studied, and until now, no crystal structure of the tubulin-isoflavone complex has been solved, and details of the isoflavone-tubulin interaction remain elusive.

PubMed: 36610121
DOI: 10.1016/j.phymed.2022.154550

Experimental method

X-RAY DIFFRACTION (2.33 Å)