5A0A

Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor

Summary for 5A0A

• Entry DOI: 10.2210/pdb5a0a/pdb
• Related: 5A09 5A0B 5A0C
• Descriptor: NEUTROPHIL ELASTASE, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... (6 entities in total)
• Functional Keywords: trypsin family fold, protease, hydrolase, hydrolase- inhibitor complex
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 1
• Total formula weight: 24913.55

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: 2024-01-10)

• 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; PubMed: 26083237; DOI: 10.1002/cmdc.201500131

Experimental method

X-RAY DIFFRACTION (1.78 Å)