title: Crystallization and preliminary crystallographic study of human coronavirus NL63 main protease in complex with an inhibitor.
abstract: Human coronavirus NL63 mainly infects younger children and causes cough, fever, rhinorrhoea, bronchiolitis and croup. It encodes two polyprotein precursors required for genome replication and transcription. Each polyprotein undergoes extensive proteolytic processing, resulting in functional subunits. This process is mainly mediated by its genome-encoded main protease, which is an attractive target for antiviral drug design. In this study, the main protease of human coronavirus NL63 was crystallized in complex with a Michael acceptor. The complex crystals diffracted to 2.85 Å resolution and belonged to space group P41212, with unit-cell parameters a = b = 87.2, c = 212.1 Å. Two molecules were identified per asymmetric unit.
authors.affiliation: School of Life Sciences, Tianjin University, Tianjin 300072, People's Republic of China.
authors.forename: Fenghua
authors.initials: F
authors.lastname: Wang
authors.affiliation: School of Life Sciences, Tianjin University, Tianjin 300072, People's Republic of China.
authors.forename: Yusheng
authors.initials: Y
authors.lastname: Tan
authors.affiliation: State Key Laboratory of Biotherapy and Cancer Center, West China Medical School, West China Hospital, Sichuan University, Chengdu 610017, People's Republic of China.
authors.forename: Huiyan
authors.initials: H
authors.lastname: Li
authors.affiliation: Tianjin International Joint Academy of Biotechnology and Medicine, Tianjin 300457, People's Republic of China.
authors.forename: Xia
authors.initials: X
authors.lastname: Chen
authors.affiliation: Tianjin International Joint Academy of Biotechnology and Medicine, Tianjin 300457, People's Republic of China.
authors.forename: Jinshan
authors.initials: J
authors.lastname: Wang
authors.affiliation: Tianjin International Joint Academy of Biotechnology and Medicine, Tianjin 300457, People's Republic of China.
authors.forename: Shuang
authors.initials: S
authors.lastname: Li
authors.affiliation: Tianjin International Joint Academy of Biotechnology and Medicine, Tianjin 300457, People's Republic of China.
authors.forename: Sheng
authors.initials: S
authors.lastname: Fu
authors.affiliation: Department of Molecular Biophysics and Biochemistry, Yale University School of Medicine, New Haven, CT 06520, USA.
authors.forename: Qi
authors.initials: Q
authors.lastname: Zhao
authors.affiliation: School of Life Sciences, Tianjin University, Tianjin 300072, People's Republic of China.
authors.forename: Cheng
authors.initials: C
authors.lastname: Chen
authors.affiliation: State Key Laboratory of Biotherapy and Cancer Center, West China Medical School, West China Hospital, Sichuan University, Chengdu 610017, People's Republic of China.
authors.forename: Dan
authors.initials: D
authors.lastname: Su
authors.affiliation: School of Life Sciences, Tianjin University, Tianjin 300072, People's Republic of China.
authors.forename: Haitao
authors.initials: H
authors.lastname: Yang
mesh_terms: D058957:Coronavirus NL63, Human / Q000737:chemistry* / Q000187:drug effects; D003460:Crystallization; D018360:Crystallography, X-Ray / Q000379:methods*; D006801:Humans; D011487:Protein Conformation
keywords: N3 inhibitor; human coronavirus NL63; main protease
references.citation: Acta Crystallogr D Biol Crystallogr. 2010 Jan;66(Pt 1):22-5
references.pmid: 20057045
references.citation: Acta Crystallogr D Biol Crystallogr. 2005 May;61(Pt 5):646-50
references.pmid: 15858279
references.citation: Emerg Infect Dis. 2005 Aug;11(8):1225-9
references.pmid: 16102311
references.citation: Future Microbiol. 2011 Feb;6(2):153-9
references.pmid: 21366416
references.citation: Methods Enzymol. 1997;276:307-26
references.pmid: 27754618
references.citation: Open Virol J. 2010 May 25;4:76-84
references.pmid: 20700397
references.citation: Virol J. 2004 Nov 17;1:7
references.pmid: 15548333
references.citation: FEMS Microbiol Rev. 2006 Sep;30(5):760-73
references.pmid: 16911043
references.citation: Proc Natl Acad Sci U S A. 2003 Nov 11;100(23):13190-5
references.pmid: 14585926
references.citation: Nat Med. 2004 Apr;10(4):368-73
references.pmid: 15034574
references.citation: PLoS Biol. 2005 Oct;3(10):e324
references.pmid: 16128623
references.citation: J Virol. 2007 Apr;81(7):3051-7
references.pmid: 17079323
references.citation: J Mol Biol. 1968 Apr 28;33(2):491-7
references.pmid: 5700707