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: 30128075DOI: 10.1021/acsmedchemlett.8b00204 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.649 Å) |
Structure validation
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