3QQP
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with Urea Inhibitor
Summary for 3QQP
| Entry DOI | 10.2210/pdb3qqp/pdb |
| Descriptor | Corticosteroid 11-beta-dehydrogenase isozyme 1, 3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (4 entities in total) |
| Functional Keywords | 11beta, hydroxysteroid, dehydrogenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
| Biological source | Homo sapiens (human) |
| Cellular location | Endoplasmic reticulum membrane ; Single-pass type II membrane protein : P28845 |
| Total number of polymer chains | 4 |
| Total formula weight | 131570.76 |
| Authors | Loenze, P.,Schimanski-Breves, S.,Engel, C.K. (deposition date: 2011-02-16, release date: 2012-02-22, Last modification date: 2024-02-21) |
| Primary citation | Venier, O.,Pascal, C.,Braun, A.,Namane, C.,Mougenot, P.,Crespin, O.,Pacquet, F.,Mougenot, C.,Monseau, C.,Onofri, B.,Dadji-Faihun, R.,Leger, C.,Ben-Hassine, M.,Van-Pham, T.,Ragot, J.L.,Philippo, C.,Gussregen, S.,Engel, C.,Farjot, G.,Noah, L.,Maniani, K.,Nicolai, E. Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11beta-hydroxysteroid-dehydrogenase type 1. Bioorg.Med.Chem.Lett., 21:2244-2251, 2011 Cited by PubMed Abstract: A High Throughput Screening campaign allowed the identification of a novel class of ureas as 11β-HSD1 inhibitors. Rational chemical optimization provided potent and selective inhibitors of both human and murine 11β-HSD1 with an appropriate ADME profile and ex vivo activity in target tissues. PubMed: 21439819DOI: 10.1016/j.bmcl.2011.02.111 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.72 Å) |
Structure validation
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