8CJK

Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098

Summary for 8CJK

Entry DOI	10.2210/pdb8cjk/pdb
Descriptor	Tryptophan 5-hydroxylase 1, FE (III) ION, 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, ... (4 entities in total)
Functional Keywords	catalytic domain, tph1, inhibitor, metal binding protein
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	37981.02
Authors	Schuetz, A.,Mallow, K.,Nazare, M.,Specker, E.,Heinemann, U. (deposition date: 2023-02-13, release date: 2024-01-10)
Primary citation	Specker, E.,Wesolowski, R.,Schutz, A.,Matthes, S.,Mallow, K.,Wasinska-Kalwa, M.,Winkler, L.,Oder, A.,Alenina, N.,Pleimes, D.,von Kries, J.P.,Heinemann, U.,Bader, M.,Nazare, M. Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors. J.Med.Chem., 66:14866-14896, 2023 Cited by PubMed: 37905925 DOI: 10.1021/acs.jmedchem.3c01454 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.45914977372 Å)

Structure validation