8WTR

HUMAN SQUALENE SYNTHASE IN COMPLEX WITH (1S,3R)-3-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6,8-dioxo-5,6,7,8,10,11-hexahydro-13H-12-oxa-5,9-diaza-benzocycloundecen-9-yl]-cyclohexanecarboxylic acid

Summary for 8WTR

Entry DOI	10.2210/pdb8wtr/pdb
Descriptor	Squalene synthase, PHOSPHATE ION, (1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid, ... (4 entities in total)
Functional Keywords	terpenoid synthase fold, isoprene biosynthesis, lipid synthesis, multifunctional enzyme, oxidoreductase, steroid biosynthesis, sterol biosynthesis, transferase-transferase inhibitor complex, transferase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	39832.77
Authors	Suzuki, M.,Haginoya, N.,Suzuki, M.,Ishigai, Y.,Terayama, K.,Kanda, A.,Sugita, K. (deposition date: 2023-10-19, release date: 2024-05-22)
Primary citation	Haginoya, N.,Suzuki, M.,Suzuki, M.,Ishigai, Y.,Terayama, K.,Kanda, A.,Sugita, K. Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors. J.Med.Chem., 67:5305-5314, 2024 Cited by PubMed: 38517948 DOI: 10.1021/acs.jmedchem.3c01500 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation