7AJR
Virtual screening approach leading to the identification of a novel and tractable series of Pseudomonas aeruginosa elastase inhibitors
This is a non-PDB format compatible entry.
Summary for 7AJR
Entry DOI | 10.2210/pdb7ajr/pdb |
Descriptor | Keratinase KP2, 2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid, ZINC ION, ... (5 entities in total) |
Functional Keywords | pseudomonas aeruginosa, elastase, inhibitors, hydrolase |
Biological source | Pseudomonas aeruginosa |
Total number of polymer chains | 1 |
Total formula weight | 33703.44 |
Authors | Leiris, S.,Davies, D.T.,Sprinsky, N.,Castandet, J.,Behria, L.,Bodnarchuk, M.S.,Sutton, J.M.,Mullins, T.M.G.,Jones, M.W.,Forrest, A.K.,Pallin, T.D.,Karunakar, P.,Martha, S.K.,Parusharamulu, B.,Ramula, R.,Kotha, V.,Pottabathini, N.,Pothukanuri, S.,Lemonnier, M.,Everett, M. (deposition date: 2020-09-29, release date: 2021-02-10, Last modification date: 2024-01-31) |
Primary citation | Leiris, S.,Davies, D.T.,Sprynski, N.,Castandet, J.,Beyria, L.,Bodnarchuk, M.S.,Sutton, J.M.,Mullins, T.M.G.,Jones, M.W.,Forrest, A.K.,Pallin, T.D.,Karunakar, P.,Martha, S.K.,Parusharamulu, B.,Ramula, R.,Kotha, V.,Pottabathini, N.,Pothukanuri, S.,Lemonnier, M.,Everett, M. Virtual Screening Approach to Identifying a Novel and Tractable Series of Pseudomonas aeruginosa Elastase Inhibitors. Acs Med.Chem.Lett., 12:217-227, 2021 Cited by PubMed: 33603968DOI: 10.1021/acsmedchemlett.0c00554 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.75 Å) |
Structure validation
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