5OHI

Crystal structure of autotaxin in complex with BI-2545

Summary for 5OHI

Entry DOI	10.2210/pdb5ohi/pdb
Descriptor	Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, [3,5-bis(trifluoromethyl)phenyl]methyl (1~{S},5~{R})-6-[(1~{H}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (11 entities in total)
Functional Keywords	phospholipase, hydrolase-hydrolase inhibitor complex, hydrolase
Biological source	Mus musculus (House Mouse)
Total number of polymer chains	1
Total formula weight	98683.33
Authors	Hoerer, S. (deposition date: 2017-07-17, release date: 2018-01-03, Last modification date: 2024-01-17)
Primary citation	Kuttruff, C.A.,Ferrara, M.,Bretschneider, T.,Hoerer, S.,Handschuh, S.,Nosse, B.,Romig, H.,Nicklin, P.,Roth, G.J. Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Med Chem Lett, 8:1252-1257, 2017 Cited by PubMed: 29259743 DOI: 10.1021/acsmedchemlett.7b00312 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.66 Å)

Structure validation