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5K1I

PDE4 crystal structure in complex with small molecule inhibitor

Summary for 5K1I
Entry DOI10.2210/pdb5k1i/pdb
DescriptorcAMP-specific 3',5'-cyclic phosphodiesterase 4D, 4-[(5-acetyl-2-ethyl-3-oxo-6-phenyl-2,3-dihydropyridazin-4-yl)amino]benzoic acid, ZINC ION, ... (5 entities in total)
Functional Keywordsphosphodiesterases, inhibitor, hydrolase
Biological sourceHomo sapiens (Human)
Cellular locationApical cell membrane : Q08499
Total number of polymer chains8
Total formula weight304365.61
Authors
Segarra, V.,Hernandez, B.,Ferrer-Miralles, N.,Korndoerfer, I.,Aymami, J. (deposition date: 2016-05-18, release date: 2016-12-21, Last modification date: 2024-01-10)
Primary citationGracia, J.,Buil, M.A.,Castro, J.,Eichhorn, P.,Ferrer, M.,Gavalda, A.,Hernandez, B.,Segarra, V.,Lehner, M.D.,Moreno, I.,Pages, L.,Roberts, R.S.,Serrat, J.,Sevilla, S.,Taltavull, J.,Andres, M.,Cabedo, J.,Vilella, D.,Calama, E.,Carcasona, C.,Miralpeix, M.
Biphenyl Pyridazinone Derivatives as Inhaled PDE4 Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 59:10479-10497, 2016
Cited by
PubMed: 27933955
DOI: 10.1021/acs.jmedchem.6b00829
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.61 Å)
Structure validation

217705

数据于2024-03-27公开中

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