4J1I

3D Structure View

CAVITIES

STRUCTURE SETTINGS

LIGANDS

Chain 4J1I_A

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GENERAL

TITLE

CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-CYANO-PYRIDINE-2- CARBOXYLIC ACID [3-((4R,5R,6R)-2-AMINO-5-FLUORO-4-METHYL-6- TRIFLUOROMETHYL-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-4-FLUORO-PHENYL]- AMIDE

DATE LAST MODIFIED

15 Nov 2017

RELEASE

1 May 2013

OBSOLETE

CLASSIFICATION

HYDROLASE/HYDROLASE INHIBITOR

EXPERIMENT TYPE

X-RAY DIFFRACTION

SPACE GROUP

P 61 2 2

RESOLUTION RANGE HIGH

2.01

RESOLUTION RANGE LOW

49.15

PUBMED ID

23590342

DOI

10.1021/JM400225M

PDBe

4J1I

LIGANDS

382780 , 173 , 2694652

Chains

Structure Chain	Target Protein	Gene	Expression System	Organism	Synonims	Actions
	P56817	BACE1, BACE, KIAA1149	ESCHERICHIA COLI	HUMAN	ASPARTYL PROTEASE 2, ASP2, ASP 2, BETA-SITE AMYLOI ...	Mutations

NGL Viewer is used for the molecular visualization.

AS Rose, AR Bradley, Y Valasatava, JM Duarte, A Prlić and PW Rose. NGL viewer: web-based molecular graphics for large complexes. Bioinformatics: bty419, 2018. doi:10.1093/bioinformatics/bty419
AS Rose and PW Hildebrand. NGL Viewer: a web application for molecular visualization. Nucl Acids Res (1 July 2015) 43 (W1): W576-W579 first published online April 29, 2015. doi:10.1093/nar/gkv402