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PDB: 188 件

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
3R24
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Crystal structure of nsp10/nsp16 complex of SARS coronavirus
分子名称: 2'-O-methyl transferase, Non-structural protein 10 and Non-structural protein 11, S-ADENOSYLMETHIONINE, ...
著者Liu, X, Guo, D, Su, C, Chen, Y.
登録日2011-03-13
公開日2011-10-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Biochemical and structural insights into the mechanisms of SARS coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex.
Plos Pathog., 7, 2011
2GTB
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Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) inhibited by an aza-peptide epoxide in the space group P43212
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 proteinase, ACETIC ACID
著者Lee, T.-W, Cherney, M.M, Huitema, C, Liu, J, James, K.E, Powers, J.C.
登録日2006-04-27
公開日2006-12-26
最終更新日2011-07-13
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
2GT8
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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
7VLO
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Crystal structure of SARS coronavirus main protease in complex with PF07321332
分子名称: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2021-10-05
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.0227 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7YGQ
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Crystal structure of SARS main protease in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
登録日2022-07-12
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
2XYV
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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2010-11-19
公開日2011-10-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.06 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
3TIU
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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
2A5A
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Crystal structure of unbound SARS coronavirus main peptidase in the space group C2
分子名称: 1,2-ETHANEDIOL, 3C-like peptidase, CHLORIDE ION
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 (2.08 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
4HI3
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Crystal structure of dimeric R298A mutant of SARS coronavirus main protease
分子名称: 3C-like proteinase
著者Wu, C.-G, Chou, C.-Y.
登録日2012-10-11
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Mechanism for controlling the monomer-dimer conversion of SARS coronavirus main protease.
Acta Crystallogr.,Sect.D, 69, 2013
2Z3D
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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: GLYCEROL, Inhibitor, 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 (2.1 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
2Z9L
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complex structure of SARS-CoV 3C-like protease with JMF1586
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, diaminozinc
著者Lee, C.C, Wang, A.H.
登録日2007-09-20
公開日2007-12-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of mercury- and zinc-conjugated complexes as SARS-CoV 3C-like protease inhibitors.
Febs Lett., 581, 2007
4OW0
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X-Ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, ...
著者Baez-Santos, Y.M, Mesecar, A.
登録日2014-01-28
公開日2014-04-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-like Proteases.
J.Med.Chem., 57, 2014
2G9T
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BU of 2g9t by Molmil
Crystal structure of the SARS coronavirus nsp10 at 2.1A
分子名称: ZINC ION, orf1a polyprotein
著者Su, D, Lou, Z, Yang, H, Sun, F, Rao, Z.
登録日2006-03-07
公開日2006-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dodecamer Structure of Severe Acute Respiratory Syndrome Coronavirus Nonstructural Protein nsp10
J.Virol., 80, 2006
7LCQ
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BU of 7lcq by Molmil
N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J.
登録日2021-01-11
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献N-Terminal Finger Stabilizes the S1 Pocket for the Reversible Feline Drug GC376 in the SARS-CoV-2 M pro Dimer.
J.Mol.Biol., 433, 2021
5F22
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C-terminal domain of SARS-CoV nsp8 complex with nsp7
分子名称: Non-structural protein, Non-structural protein 7
著者Li, S.
登録日2015-12-01
公開日2016-01-27
最終更新日2016-02-03
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献C-terminal domain of SARS-CoV nsp8 complex with nsp7
To Be Published
8IG5
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Crystal structure of SARS main protease in complex with GC376
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Lin, C, Zhang, J, Li, J.
登録日2023-02-20
公開日2024-03-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
2GZ9
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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
3VB3
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Crystal structure of SARS-CoV 3C-like protease in apo form
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, DI(HYDROXYETHYL)ETHER
著者Chuck, C.P, Wong, K.B.
登録日2011-12-31
公開日2012-12-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
3VB4
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Crystal structure of SARS-CoV 3C-like protease with B4Z
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, B4Z inhibitor, ...
著者Chuck, C.P, Wong, K.B.
登録日2011-12-31
公開日2012-12-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases
Eur.J.Med.Chem., 59C, 2012
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
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
2W2G
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Human SARS coronavirus unique domain
分子名称: NON-STRUCTURAL PROTEIN 3, SULFATE ION
著者Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Kusov, Y, Hansen, G, Mesters, J.R, Schmidt, C.L, Hilgenfeld, R.
登録日2008-10-30
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
7LFV
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Crystal structure of the SARS CoV-1 Papain-like protease in complex with peptide inhibitor VIR251
分子名称: 1,2-ETHANEDIOL, AMMONIUM ION, CHLORIDE ION, ...
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 (2.23 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
6LNQ
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The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7
分子名称: N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide, Severe Acute Respiratory Syndrome Coronavirus 3c Like Protease
著者Wang, H, Shang, L.Q.
登録日2020-01-01
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.244 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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