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PDB: 1657 件
1P9S
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Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
分子名称: 1,4-DIETHYLENE DIOXIDE, Replicase polyprotein 1ab
著者Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R.
登録日2003-05-12
公開日2003-05-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003
3M3T
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SARS-CoV main protease monomeric Arg298Ala mutant with N-terminal additional residues (Gly-Ser)
分子名称: 3C-like proteinase
著者Shi, J.H, Song, J.X.
登録日2010-03-10
公開日2011-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献SARS-CoV main protease with N-terminal extension regulated by mutation on C-terminal domain
To be Published
3M3S
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Crystal structure of SARS-COV main protease Asn214Ala mutant with authorize N-terminus
分子名称: 3C-like proteinase
著者Shi, J.H, Song, J.X.
登録日2010-03-10
公開日2011-03-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Dynamical Inactivation of the Catalytic Machinery of the SARS-CoV 3C-Like Protease as Triggered by the N214A Mutation on the Extra Domain
To be Published
5N5O
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Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
著者Zhang, L, Hilgenfeld, R.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
1P9U
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Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, PHQ-VNSTLQ-CHLOROMETHYLKETONE INHIBITOR, SULFATE ION, ...
著者Anand, K, Ziebuhr, J, Wadhwani, P, Mesters, J.R, Hilgenfeld, R.
登録日2003-05-12
公開日2003-05-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of anti-SARS Drugs
Science, 300, 2003
8UTE
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Structure of SARS-Cov2 3CLPro in complex with Compound 27
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-31
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8WZQ
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Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with CCF0058981
分子名称: 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5
著者Zou, X.F, Jiang, H.H, Zhou, X.L, Zhang, J, Li, J.
登録日2023-11-02
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
8VSG
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SARS-CoV-2 main protease with covalent inhibitor
分子名称: (1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-(1-phenylcyclopropane-1-carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Bell, J.A, Bandera, A.M.
登録日2024-01-24
公開日2024-04-03
実験手法X-RAY DIFFRACTION (2.071 Å)
主引用文献Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity.
Bioorg.Med.Chem., 103, 2024
8WZP
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Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with CCF0058981
分子名称: 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide, 3C-like proteinase nsp5
著者Jiang, H.H, Zou, X.F, Zhou, X.L, Zhang, J, Li, J.
登録日2023-11-02
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease (M pro ) mutants in complex with the non-covalent inhibitor CCF0058981.
Biochem.Biophys.Res.Commun., 692, 2024
4WME
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Crystal structure of catalytically inactive MERS-CoV 3CL Protease (C148A) in spacegroup C2
分子名称: 1,2-ETHANEDIOL, MERS-CoV 3CL protease
著者Lountos, G.T, Needle, D, Waugh, D.S.
登録日2014-10-08
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Acta Crystallogr.,Sect.D, 71, 2015
4WMF
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Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup P212121
分子名称: DI(HYDROXYETHYL)ETHER, MERS-CoV 3CL protease, TETRAETHYLENE GLYCOL
著者Lountos, G.T, Needle, D, Waugh, D.S.
登録日2014-10-08
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Acta Crystallogr.,Sect.D, 71, 2015
4WMD
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Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup C2221
分子名称: DI(HYDROXYETHYL)ETHER, ORF1a, PENTAETHYLENE GLYCOL, ...
著者Lountos, G.T, Needle, D, Waugh, D.S.
登録日2014-10-08
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.585 Å)
主引用文献Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Acta Crystallogr.,Sect.D, 71, 2015
4WY3
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Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor
分子名称: (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase
著者Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A.
登録日2014-11-15
公開日2015-02-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors.
Bioorg.Med.Chem., 23, 2015
1UJ1
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Crystal structure of SARS Coronavirus Main Proteinase (3CLpro)
分子名称: 3C-like proteinase
著者Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z.
登録日2003-07-25
公開日2003-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
1UK2
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Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH8.0
分子名称: 3C-LIKE PROTEINASE
著者Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z.
登録日2003-08-14
公開日2003-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
1UK3
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Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) At pH7.6
分子名称: 3C-like proteinase
著者Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z.
登録日2003-08-14
公開日2003-11-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
1UK4
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Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) Complexed With An Inhibitor
分子名称: 3C-like proteinase nsp5, 5-mer peptide of inhibitor
著者Yang, H, Yang, M, Liu, Y, Bartlam, M, Ding, Y, Lou, Z, Sun, L, Zhou, Z, Ye, S, Anand, K, Pang, H, Gao, G.F, Hilgenfeld, R, Rao, Z.
登録日2003-08-14
公開日2003-11-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structures of severe acute respiratory syndrome virus main protease and its complex with an inhibitor
Proc.Natl.Acad.Sci.USA, 100, 2003
5WKL
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1.85 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 17
分子名称: (1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C.
登録日2017-07-25
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
5WKJ
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2.05 A resolution structure of MERS 3CL protease in complex with inhibitor GC376
分子名称: (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, CALCIUM ION, ...
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C.
登録日2017-07-25
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
5WKK
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1.55 A resolution structure of MERS 3CL protease in complex with inhibitor GC813
分子名称: (1R,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, MAGNESIUM ION, ...
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C.
登録日2017-07-25
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
5WKM
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2.25 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21
分子名称: (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Rathnayake, A.D, Chang, K.O, Groutas, W.C.
登録日2017-07-25
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.
Eur J Med Chem, 150, 2018
7NTW
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Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Dupre, E, Villeret, V, Hanoulle, X.
登録日2021-03-11
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.815 Å)
主引用文献Crystal structure of the SARS-CoV-2 Main Protease with a Zinc ion coordinated in the active site
To Be Published
6M03
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The crystal structure of COVID-19 main protease in apo form
分子名称: 3C-like proteinase
著者Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Rao, Z.
登録日2020-02-19
公開日2020-03-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
5B6O
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Crystal structure of MS8104
分子名称: 3C-like proteinase
著者Wang, H, Kim, Y, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2016-05-31
公開日2016-06-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献SARS-CoV 3CL protease cleaves its C-terminal autoprocessing site by novel subsite cooperativity
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6LNY
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The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C-Like Protease with aldehyde M15
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, Replicase polyprotein 1a
著者Wang, H, Shang, L.Q.
登録日2020-01-02
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.245 Å)
主引用文献Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020

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