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PDB: 188 件
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
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
2VJ1
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BU of 2vj1 by Molmil
A Structural View of the Inactivation of the SARS-Coronavirus Main Proteinase by Benzotriazole Esters
分子名称: 4-(DIMETHYLAMINO)BENZOIC ACID, BENZOIC ACID, DIMETHYL SULFOXIDE, ...
著者Verschueren, K.H.G, Pumpor, K, Anemueller, S, Mesters, J.R, Hilgenfeld, R.
登録日2007-12-06
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献A Structural View of the Inactivation of the Sars Coronavirus Main Proteinase by Benzotriazole Esters.
Chem.Biol., 15, 2008
7XAX
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BU of 7xax by Molmil
Crystal structure of SARS coronavirus main protease in complex with Baicalei
分子名称: 3C-like proteinase nsp5, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
著者Zhou, X.L, Li, J, Zhang, J.
登録日2022-03-19
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of SARS coronavirus main protease in complex with Baicalei
To Be Published
7EO8
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BU of 7eo8 by Molmil
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhang, Y.T, Gao, H.X, Zhou, H, Zhong, F.L, Hu, X.H, Zhou, X.L, Lin, C, Wang, Q.S, Li, J, Zhang, J.
登録日2021-04-21
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2808516 Å)
主引用文献Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.
J.Virol., 96, 2022
7LFU
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BU of 7lfu by Molmil
Crystal structure of the SARS CoV-1 Papain-like protease in complex with peptide inhibitor VIR250
分子名称: Papain-like protease peptide inhibitor VIR250, papain-like protease
著者Olsen, S.K, Lv, Z.
登録日2021-01-18
公開日2021-11-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献A molecular sensor determines the ubiquitin substrate specificity of SARS-CoV-2 papain-like protease.
Cell Rep, 36, 2021
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
3AW0
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Structure of SARS 3CL protease with peptidic aldehyde inhibitor
分子名称: 3C-Like Proteinase, peptide ACE-SER-ALA-VAL-LEU-HIS-H
著者Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A.
登録日2011-03-09
公開日2011-12-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors.
J.Med.Chem., 54, 2011
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
2AMQ
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Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3
分子名称: 3C-like proteinase, 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
著者Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z.
登録日2005-08-10
公開日2005-09-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2A5K
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Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in space group P212121
分子名称: (5S,8S,14R)-ETHYL 11-(3-AMINO-3-OXOPROPYL)-8-BENZYL-14-HYDROXY-5-ISOBUTYL-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,11-TETRAAZAPENTADECAN-15-OATE, 3C-like peptidase
著者Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C, Eltis, L.D, James, M.N.
登録日2005-06-30
公開日2005-10-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of the Main Peptidase from the SARS Coronavirus Inhibited by a Substrate-like Aza-peptide Epoxide
J.Mol.Biol., 353, 2005
2Z3E
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A Mechanistic view of Enzyme Inhibition and Peptide Hydrolysis in the Active Site of the SARS-CoV 3C-Like peptidase
分子名称: ACE VAL Z3E LEU KCQ peptide, GLYCEROL, Replicase polyprotein 1ab (pp1ab)
著者Yin, J.
登録日2007-06-04
公開日2007-07-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A mechanistic view of enzyme inhibition and peptide hydrolysis in the active site of the SARS-CoV 3C-like peptidase
J.Mol.Biol., 371, 2007
3FZD
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BU of 3fzd by Molmil
Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro
分子名称: 3C-like proteinase
著者Barrila, J, Gabelli, S, Bacha, U, Amzel, L.M, Freire, E.
登録日2009-01-25
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CL(pro) .
Biochemistry, 49, 2010
3ATW
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BU of 3atw by Molmil
Structure-Based Design, Synthesis, Evaluation of Peptide-mimetic SARS 3CL Protease Inhibitors
分子名称: 3C-Like Proteinase, peptide ACE-THR-VAL-ALC-HIS-H
著者Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A.
登録日2011-01-20
公開日2011-12-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors.
J.Med.Chem., 54, 2011
4ZUH
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BU of 4zuh by Molmil
Complex structure of PEDV 3CLpro mutant (C144A) with a peptide substrate.
分子名称: PEDV 3C-Like protease, peptide substrate SAVLQSGF
著者Ye, G, Fu, Z.F, Peng, G.Q.
登録日2015-05-16
公開日2016-06-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
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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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
1UK3
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BU of 1uk3 by Molmil
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
2AHM
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Crystal structure of SARS-CoV super complex of non-structural proteins: the hexadecamer
分子名称: GLYCEROL, Replicase polyprotein 1ab, heavy chain, ...
著者Zhai, Y.J, Sun, F, Bartlam, M, Rao, Z.
登録日2005-07-28
公開日2005-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insights into SARS-CoV transcription and replication from the structure of the nsp7-nsp8 hexadecamer
NAT.STRUCT.MOL.BIOL., 12, 2005
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
4TWW
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Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor
分子名称: (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)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2014-07-02
公開日2015-02-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.42 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
5TL7
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BU of 5tl7 by Molmil
Crystal structure of SARS-CoV papain-like protease in complex with C-terminal domain mouse ISG15
分子名称: Replicase polyprotein 1ab, Ubiquitin-like protein ISG15, ZINC ION
著者Daczkowski, C.D, Dzimianski, J.V, Pegan, S.D.
登録日2016-10-10
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
J. Mol. Biol., 429, 2017
3AVZ
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Structure of SARS 3CL protease with peptidic aldehyde inhibitor containing cyclohexyl side chain
分子名称: 3C-Like Proteinase, peptide ACE-SER-ALA-VAL-ALC-HIS-H
著者Akaji, K, Konno, H, Mitsui, H, Teruya, K, Hattori, Y, Ozaki, T, Kusunoki, M, Sanjho, A.
登録日2011-03-09
公開日2011-12-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure-Based Design, Synthesis, and Evaluation of Peptide-Mimetic SARS 3CL Protease Inhibitors.
J.Med.Chem., 54, 2011
3E9S
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A new class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, CHLORIDE ION, Non-structural protein 3, ...
著者Mesecar, A.D, Ratia, K, Pegan, S.
登録日2008-08-23
公開日2008-10-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A new class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication
To be published
2XYR
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Crystal structure of the nsp16 nsp10 SARS coronavirus complex
分子名称: CHLORIDE ION, MAGNESIUM ION, NON-STRUCTURAL PROTEIN 10, ...
著者Decroly, E, Debarnot, C, Ferron, F, Bouvet, M, Coutard, B, Imbert, I, Gluais, L, Papageorgiou, N, Ortiz-Lombardia, M, Lescar, J, Canard, B.
登録日2010-11-18
公開日2011-10-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Plos Pathog., 7, 2011

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