4MPV
Human beta-tryptase co-crystal structure with (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide
Summary for 4MPV
Entry DOI | 10.2210/pdb4mpv/pdb |
Related | 4MPU 4MPW 4MPX 4MQA |
Descriptor | Tryptase alpha/beta-1, (2R,4S)-N,N'-bis[3-({4-[3-(aminomethyl)phenyl]piperidin-1-yl}carbonyl)phenyl]-4-hydroxy-2-(2-hydroxypropan-2-yl)-5,5-dimethyl-1,3-dioxolane-2,4-dicarboxamide, 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 | 56640.04 |
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.,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 (2.305 Å) |
Structure validation
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