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PDB: 1657 件
3SN8
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BU of 3sn8 by Molmil
Crystal structure of SARS coronavirus main protease complexed with Cm-FF-H (soaking)
分子名称: 3C-like proteinase, N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-Nalpha-[(2E)-3-phenylprop-2-enoyl]-L-phenylalaninamide
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SNC
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BU of 3snc by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-NSTSQ-H (soaking)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, Peptide aldehyde inhibitor Ac-NSTSQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SNB
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BU of 3snb by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-DSFDQ-H (soaking)
分子名称: 3C-like proteinase, Peptide aldehyde inhibitor Ac-DSFDQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SNA
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BU of 3sna by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-NSFSQ-H (soaking)
分子名称: 3C-like proteinase, Peptide aldehyde inhibitor Ac-NSFSQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SZN
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BU of 3szn by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester SG75
分子名称: 3C-like proteinase, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
著者Zhu, L, Hilgenfeld, R.
登録日2011-07-19
公開日2012-07-25
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Crystal structures of SARS-Cov main protease complexed with a series of unsaturated esters
To be Published
2K7X
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BU of 2k7x by Molmil
solution structure of C-terminal domain of SARS-CoV main protease
分子名称: SARS-CoV main protease
著者Xia, B, Zhong, N.
登録日2008-08-28
公開日2009-05-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献C-terminal domain of SARS-CoV main protease can form a 3D domain-swapped dimer.
Protein Sci., 18, 2009
2GX4
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BU of 2gx4 by Molmil
Crystal structure of SARS coronavirus 3CL protease inhibitor complex
分子名称: 3C-like proteinase, N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
著者Hsu, M.F, Wang, A.H.-J.
登録日2006-05-08
公開日2007-05-08
最終更新日2020-04-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.
J.Med.Chem., 49, 2006
2GZ9
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BU of 2gz9 by Molmil
Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease
分子名称: Replicase polyprotein 1ab
著者Lu, I.L, Wu, S.Y.
登録日2006-05-11
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of Severe Acute Respiratory Syndrome Coronavirus Main Protease
J.Med.Chem., 49, 2006
3SND
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BU of 3snd by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-ESTLQ-H (cocrystallization)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 3C-like proteinase, Peptide aldehyde inhibitor Ac-ESTLQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
3SNE
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BU of 3sne by Molmil
Crystal structure of SARS coronavirus main protease complexed with Ac-ESTLQ-H (Soaking)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase, Peptide aldehyde inhibitor Ac-ESTLQ-H
著者Zhu, L, Hilgenfeld, R.
登録日2011-06-29
公開日2011-09-07
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Peptide aldehyde inhibitors challenge the substrate specificity of the SARS-coronavirus main protease.
Antiviral Res., 92, 2011
2HOB
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BU of 2hob by Molmil
Crystal structure of SARS-CoV main protease with authentic N and C-termini in complex with a Michael acceptor N3
分子名称: N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE, Replicase polyprotein 1ab
著者Xue, X, Yang, H, Shen, W, Zhao, Q, Li, J, Rao, Z.
登録日2006-07-14
公開日2007-04-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
2GT8
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BU of 2gt8 by Molmil
Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) in the space group P43212
分子名称: 3C-like proteinase
著者Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.G.
登録日2006-04-27
公開日2006-12-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures Reveal an Induced-fit Binding of a Substrate-like Aza-peptide Epoxide to SARS Coronavirus Main Peptidase.
J.Mol.Biol., 366, 2007
2GZ8
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BU of 2gz8 by Molmil
Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease
分子名称: Replicase polyprotein 1ab, S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE
著者Lu, I.L, Wu, S.Y.
登録日2006-05-11
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of Severe Acute Respiratory Syndrome Coronavirus Main Protease
J.Med.Chem., 49, 2006
2GZ7
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BU of 2gz7 by Molmil
Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease
分子名称: 2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE, Replicase polyprotein 1ab
著者Lu, I.L, Wu, S.Y.
登録日2006-05-11
公開日2006-08-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of Severe Acute Respiratory Syndrome Coronavirus Main Protease
J.Med.Chem., 49, 2006
3TIU
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BU of 3tiu by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha,beta-unsaturated ethyl ester inhibitor SG82
分子名称: DIMETHYL SULFOXIDE, ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE, SARS coronavirus main protease
著者Zhu, L, Hilgenfeld, R.
登録日2011-08-22
公開日2012-08-22
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters
To be Published
3TIT
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BU of 3tit by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester SG81
分子名称: ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE, SARS coronavirus main protease
著者Zhu, L, Hilgenfeld, R.
登録日2011-08-21
公開日2012-08-22
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal structures of SARS-Cov main protease complexed with a series of unsaturated esters
To be Published
3TNT
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BU of 3tnt by Molmil
Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester inhibitor SG85
分子名称: N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide, SARS coronavirus main protease
著者Zhu, L, Hilgenfeld, R.
登録日2011-09-02
公開日2012-09-05
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Crystal structures of SARS-Cov main protease complexed with a series of peptidic unsaturated esters
To be Published
3EAJ
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BU of 3eaj by Molmil
Crystal structure of SARS-CoV main protease quadruple mutant STIF/A with two molecules in one asymmetric unit
分子名称: 3C-like proteinase
著者Shi, J.H, Jayaraman, S, Song, J.X.
登録日2008-08-26
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献crystal structure of SARS-CoV Mpro mutant with two molecules one ASU
To be Published
3E91
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BU of 3e91 by Molmil
Crystal structure of SARS-CoV Mpro mutant in P21 at pH6.9
分子名称: 3C-like proteinase
著者Shi, J.H, Jayaraman, S, Song, J.X.
登録日2008-08-21
公開日2009-08-25
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural analysis of the activity-enhanced SARS-CoV Mpro C-terminal mutant
To be Published
3EBN
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BU of 3ebn by Molmil
A Special Dimerization of SARS-CoV Main Protease C-Terminal Domain Due to Domain-swapping
分子名称: Replicase polyprotein 1ab
著者Zhong, N, Zhang, S, Xue, F, Kang, X, Lou, Z, Xia, B.
登録日2008-08-28
公開日2009-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献C-terminal domain of SARS-CoV main protease can form a 3D domain-swapped dimer
PROTEIN SCI., 18, 2009
3EA9
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BU of 3ea9 by Molmil
Crystal structure of SARS-CoV main protease quadruple mutant STIF/A with one molecule in one asymmetric unit
分子名称: 3C-like proteinase
著者Shi, J.H, Jayaraman, S, Song, J.X.
登録日2008-08-25
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献crystal structure of SARS-CoV Mpro quadruple mutant
To be Published
3EA7
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BU of 3ea7 by Molmil
Crystal structure of SARS-CoV main protease triple mutant STI/A in space group P21
分子名称: 3C-like proteinase
著者Shi, J.H, Jayaraman, S, Song, J.X.
登録日2008-08-25
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of SARS-CoV Mpro mutant
To be Published
3EA8
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Crystal structure of SARS-CoV main protease triple mutant STI/A in space group C2
分子名称: 3C-like proteinase
著者Shi, J.H, Jayaraman, S, Song, J.X.
登録日2008-08-25
公開日2009-09-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of SARS-CoV Mpro mutant
To be Published
3F9G
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BU of 3f9g by Molmil
Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.5
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009
3F9F
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Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.0
分子名称: 3C-like proteinase
著者Hu, T, Li, L, Jiang, H, Shen, X.
登録日2008-11-13
公開日2009-09-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Two adjacent mutations on the dimer interface of SARS coronavirus 3C-like protease cause different conformational changes in crystal structure.
Virology, 388, 2009

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件を2024-06-12に公開中

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