3PDJ

Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor

Summary for 3PDJ

Entry DOI	10.2210/pdb3pdj/pdb
Related	3BZU 3CZR 3D3E 3D4N 3D5Q 3FCO 3FRJ
Descriptor	Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (4 entities in total)
Functional Keywords	11beta, hydroxysteroid, dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Endoplasmic reticulum membrane; Single-pass type II membrane protein: P28845
Total number of polymer chains	2
Total formula weight	62705.91
Authors	Wang, Z.,Sudom, A.,Walker, N.P. (deposition date: 2010-10-22, release date: 2011-10-05, Last modification date: 2024-02-21)
Primary citation	Sun, D.,Wang, Z.,Caille, S.,DeGraffenreid, M.,Gonzalez-Lopez de Turiso, F.,Hungate, R.,Jaen, J.C.,Jiang, B.,Julian, L.D.,Kelly, R.,McMinn, D.L.,Kaizerman, J.,Rew, Y.,Sudom, A.,Tu, H.,Ursu, S.,Walker, N.,Willcockson, M.,Yan, X.,Ye, Q.,Powers, J.P. Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors Bioorg.Med.Chem.Lett., 21:405-410, 2011 Cited by PubMed: 21093258 DOI: 10.1016/j.bmcl.2010.10.129 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation