4MPU

Human beta-tryptase co-crystal structure with (6S,8R)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-8-hydroxy-6-(1-hydroxycyclobutyl)-5,7-dioxaspiro[3.4]octane-6,8-dicarboxamide

Summary for 4MPU

Entry DOI	10.2210/pdb4mpu/pdb
Related	4MPV 4MPW 4MPX 4MQA
Descriptor	Tryptase alpha/beta-1, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ... (6 entities in total)
Functional Keywords	coferon, alpha-hydroxyketone, small molecule inhibitor, drug discovery, self-assembly, crystal catalysis, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	2
Total formula weight	57017.06
Authors	White, A.,Stein, A.J.,Suto, R.K. (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.,Foreman, K.W.,Bergstrom, D.E.,Arnold, L.D.,Barany, F. Target-Directed Self-Assembly of Homodimeric Drugs Against beta-Tryptase. Acs Med.Chem.Lett., 9:827-831, 2018 Cited by PubMed: 30128075 DOI: 10.1021/acsmedchemlett.8b00204 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.649 Å)

Structure validation