8UV2

Human p97/VCP structure with a triazole inhibitor (NSC799462/hexamer)

Summary for 8UV2

• Entry DOI: 10.2210/pdb8uv2/pdb
• EMDB information: 42603
• Descriptor: Transitional endoplasmic reticulum ATPase, ADENOSINE-5'-DIPHOSPHATE, 3-(2,6-difluoro-4-{[(4P)-5-{[(2S)-hexan-2-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}phenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate (3 entities in total)
• Functional Keywords: aaa+ atpase, p97, vcp, triazole, allosteric inhibition, motor protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 6
• Total formula weight: 545339.57

Authors

Nandi, P.,DeVore, K.,Chiu, P.-L. (deposition date: 2023-11-02, release date: 2024-08-21)

• Primary citation: Nandi, P.,DeVore, K.,Wang, F.,Li, S.,Walker, J.D.,Truong, T.T.,LaPorte, M.G.,Wipf, P.,Schlager, H.,McCleerey, J.,Paquette, W.,Columbres, R.C.A.,Gan, T.,Poh, Y.P.,Fromme, P.,Flint, A.J.,Wolf, M.,Huryn, D.M.,Chou, T.F.,Chiu, P.L.; Mechanism of allosteric inhibition of human p97/VCP ATPase and its disease mutant by triazole inhibitors.; Commun Chem, 7:177-177, 2024; PubMed: 39122922; DOI: 10.1038/s42004-024-01267-3

Experimental method

ELECTRON MICROSCOPY (3.23 Å)