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4ZRO
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BU of 4zro by Molmil
2.1 A X-Ray Structure of FIPV-3CLpro bound to covalent inhibitor
分子名称: 3C-like proteinase, Bounded inhibitor of N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-leucinamide, DIMETHYL SULFOXIDE
著者St John, S.E, Mesecar, A.D.
登録日2015-05-12
公開日2015-10-14
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.0566 Å)
主引用文献X-ray structure and inhibition of the feline infectious peritonitis virus 3C-like protease: Structural implications for drug design.
Bioorg.Med.Chem.Lett., 25, 2015
4YO9
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BU of 4yo9 by Molmil
HKU4 3CLpro unbound structure
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like proteinase, ACETATE ION, ...
著者St John, S.E, Mesecar, A.
登録日2015-03-11
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
4YOJ
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BU of 4yoj by Molmil
HKU4 3CLpro bound to non-covalent inhibitor 2A
分子名称: 3C-like proteinase, ACETATE ION, FORMIC ACID, ...
著者St John, S.E, Mesecar, A.
登録日2015-03-11
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
4YOG
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BU of 4yog by Molmil
HKU4-3CLpro bound to non-covalent inhibitor 3B
分子名称: 3C-like proteinase, ACETATE ION, N-[4-(acetylamino)phenyl]-2-(1H-benzotriazol-1-yl)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-(thiophen-3-yl)ethyl]acetamide
著者St John, S.E, Mesecar, A.
登録日2015-03-11
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
4YOI
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BU of 4yoi by Molmil
Structure of HKU4 3CLpro bound to non-covalent inhibitor 1A
分子名称: 3C-like proteinase, ACETATE ION, FORMIC ACID, ...
著者St John, S.E, Mesecar, A.
登録日2015-03-11
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
5HYO
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BU of 5hyo by Molmil
X-Ray Structure of Unbound Porcine Epidemic Diarrhea Virus 3CLpro
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ISOPROPYL ALCOHOL, ...
著者St John, S.E, Mesecar, A.D.
登録日2016-02-01
公開日2016-06-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献X-Ray Structure and Inhibition of 3C-like Protease from Porcine Epidemic Diarrhea Virus.
Sci Rep, 6, 2016
4RSP
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BU of 4rsp by Molmil
X-ray structure of MERS-CoV nsp5 protease bound with a designed inhibitor
分子名称: Orf1a protein, Peptide inhibitor
著者Tomar, S, Mesecar, A.D.
登録日2014-11-10
公開日2015-06-17
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015
4YLU
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BU of 4ylu by Molmil
X-ray structure of MERS-CoV nsp5 protease bound with a non-covalent inhibitor
分子名称: ACETATE ION, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide, ORF1a protein
著者Tomar, S, Mesecar, A.D.
登録日2015-03-05
公開日2015-06-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015

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件を2024-08-14に公開中

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