3TFQ
Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE
Summary for 3TFQ
Entry DOI | 10.2210/pdb3tfq/pdb |
Related | 3CH6 |
Descriptor | Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, ... (5 entities in total) |
Functional Keywords | 11b-hsd1, sdr, dehydrogenase, hydroxysteroid, inhibitor, 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 | 129748.53 |
Authors | Sheriff, S. (deposition date: 2011-08-16, release date: 2011-11-02, Last modification date: 2024-04-03) |
Primary citation | Wu, S.C.,Yoon, D.,Chin, J.,van Kirk, K.,Seethala, R.,Golla, R.,He, B.,Harrity, T.,Kunselman, L.K.,Morgan, N.N.,Ponticiello, R.P.,Taylor, J.R.,Zebo, R.,Harper, T.W.,Li, W.,Wang, M.,Zhang, L.,Sleczka, B.G.,Nayeem, A.,Sheriff, S.,Camac, D.M.,Morin, P.E.,Everlof, J.G.,Li, Y.X.,Ferraro, C.A.,Kieltyka, K.,Shou, W.,Vath, M.B.,Zvyaga, T.A.,Gordon, D.A.,Robl, J.A. Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11beta-hydroxydehydrogenase 1 (11beta-HSD1) Bioorg.Med.Chem.Lett., 21:6693-6698, 2011 Cited by PubMed: 21983444DOI: 10.1016/j.bmcl.2011.09.058 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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