EMDB EMD-4246

Single particle reconstruction
3.6Å resolution

Structure of inhibitor-bound ABCG2

Map released:
Last modified:
Overview of EMD-4246
Source organisms:
Fitted atomic model: 6feq
Related EM entry by publication: EMD-3953, EMD-4256
Primary publication:
Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Jackson SM, Manolaridis I, Kowal J, Zechner M, Taylor NMI, Bause M, Bauer S, Bartholomaeus R, Bernhardt G, Koenig B, Buschauer A, Stahlberg H, Altmann KH, Locher KP
Nat. Struct. Mol. Biol. 25 333-340 (2018)
PMID: 29610494

Function and Biology Details

Sample name: inhibitor-bound ABCG2
Ligands: N-ACETYL-D-GLUCOSAMINE, ~{N}-[5-[1-[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1~{H}-isoquinolin-2-yl]ethyl]phenyl]-1,2,3-triazol-4-yl]-2-propanoyl-phenyl]quinoline-2-carboxamide
Proteins: inhibitor-bound ABCG2, ABCG2, inhibitor, ATP-binding cassette sub-family G member 2, 5D3(Fab) light chain variable domain, 5D3(Fab) heavy chain variable domain

Experimental Information Details

Resolution: 3.6Å
Resolution method: FSC 0.143 CUT-OFF
Applied symmetry: C1
Reconstruction software: RELION
Microscope: FEI TITAN KRIOS
Detector: GATAN K2 (4k x 4k)