4MPW

Human beta-tryptase co-crystal structure with [(1,1,3,3-tetramethyldisiloxane-1,3-diyl)di-1-benzofuran-3,5-diyl]bis({4-[3-(aminomethyl)phenyl]piperidin-1-yl}methanone)

Summary for 4MPW

Entry DOI	10.2210/pdb4mpw/pdb
Related	4MPU 4MPV 4MPX 4MQA
Descriptor	Tryptase alpha/beta-1, CHLORIDE ION, TRIETHYLENE GLYCOL, ... (6 entities in total)
Functional Keywords	coferon, alpha-hydroxyketone, small molecule inhibitor, drug discovery, self-assembly, crystal catalysis, silanol, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	56271.31
Authors	White, A.,Stein, A.J.,Suto, R. (deposition date: 2013-09-13, release date: 2015-03-18, Last modification date: 2019-09-25)
Primary citation	Giardina, S.F.,Werner, D.S.,Pingle, M.,Bergstrom, D.E.,Arnold, L.D.,Barany, F. A Novel, Nonpeptidic, Orally Active Bivalent Inhibitor of Human beta-Tryptase. Pharmacology, 102:233-243, 2018 Cited by PubMed: 30134249 DOI: 10.1159/000492078 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation