5A0C
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
Summary for 5A0C
Entry DOI | 10.2210/pdb5a0c/pdb |
Related | 5A09 5A0A 5A0B |
Descriptor | NEUTROPHIL ELASTASE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total) |
Functional Keywords | trypsin family fold, protease, hydrolase, hydrolase- inhibitor complex |
Biological source | HOMO SAPIENS (HUMAN) |
Total number of polymer chains | 2 |
Total formula weight | 50283.62 |
Authors | vonNussbaum, F.,Li, V.M.-J.,Allerheiligen, S.,Anlauf, S.,Baerfacker, L.,Bechem, M.,Delbeck, M.,Fitzgerald, M.F.,Gerisch, M.,Gielen-Haertwig, H.,Haning, H.,Karthaus, D.,Lang, D.,Lustig, K.,Meibom, D.,Mittendorf, J.,Rosentreter, U.,Schaefer, M.,Schaefer, S.,Schamberger, J.,Telan, L.A.,Tersteegen, A. (deposition date: 2015-04-17, release date: 2015-08-19, Last modification date: 2020-07-29) |
Primary citation | von Nussbaum, F.,Li, V.M.,Allerheiligen, S.,Anlauf, S.,Barfacker, L.,Bechem, M.,Delbeck, M.,Fitzgerald, M.F.,Gerisch, M.,Gielen-Haertwig, H.,Haning, H.,Karthaus, D.,Lang, D.,Lustig, K.,Meibom, D.,Mittendorf, J.,Rosentreter, U.,Schafer, M.,Schafer, S.,Schamberger, J.,Telan, L.A.,Tersteegen, A. Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10:1163-1173, 2015 Cited by PubMed: 26083237DOI: 10.1002/cmdc.201500131 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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