EMDB EMD-20834

Single particle reconstruction
4.02Å resolution

Structure of itraconazole-bound NPC1

Map released:
Last modified:
Overview of EMD-20834
Source organism: Homo sapiens [9606]
Fitted atomic model: 6uox
Primary publication:
Structural basis for itraconazole-mediated NPC1 inhibition.
Long T, Qi X, Hassan A, Liang Q, De Brabander JK, Li X
Nat Commun 11 152-152 (2020)
PMID: 31919352

Function and Biology Details

Sample name: NPC1 and itraconazole-Br complex
Ligands: N-ACETYL-D-GLUCOSAMINE, ALPHA-D-MANNOSE, 4-(3-bromo-4-{4-[4-({(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-2-[(2S)-butan-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Proteins: NPC1 and itraconazole-Br complex, NPC intracellular cholesterol transporter 1

Experimental Information Details

Resolution: 4.02Å
Resolution method: FSC 0.143 CUT-OFF
Detector: OTHER