2DUC
 
 | | Crystal structure of SARS coronavirus main proteinase(3CLPRO) | | 分子名称: | Replicase polyprotein 1ab | | 著者 | Wang, H, Kim, Y.T, Muramatsu, T, Takemoto, C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2006-07-21 | | 公開日 | 2007-07-24 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.7 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
|
|
7K0H
 | | 1.70 A resolution structure of SARS-CoV 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | | 分子名称: | CHLORIDE ION, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, Replicase polyprotein 1a, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7LMI
 | | SARS-CoV-1 3CLPro in complex with N-(4-(1H-pyrazol-4-yl)phenyl)-2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(thiophen-3-ylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
|
|
2QCY
 | |
2Z94
 | |
2Z3C
 | |
8ULD
 | | SARA CoV-2 3C-like protease in complex with GSK3487016A | | 分子名称: | 1,2-ETHANEDIOL, N-[(benzyloxy)carbonyl]-4-fluoro-L-phenylalanyl-N-{(2S,3R)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-[(propan-2-yl)amino]butan-2-yl}-L-leucinamide, Replicase polyprotein 1a | | 著者 | Williams, S.P, Concha, N.O. | | 登録日 | 2023-10-16 | | 公開日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Exploration of the P1 residue in 3CL protease inhibitors leading to the discovery of a 2-tetrahydrofuran P1 replacement.
Bioorg.Med.Chem., 100, 2024
|
|
2OP9
 | |
2FYG
 | | Crystal structure of NSP10 from Sars coronavirus | | 分子名称: | GLYCEROL, Replicase polyprotein 1ab, ZINC ION | | 著者 | Joseph, J.S, Saikatendu, K.S, Subramanian, V, Neuman, B.W, Brooun, A, Griffith, M, Moy, K, Yadav, M.K, Velasquez, J, Buchmeier, M.J, Stevens, R.C, Kuhn, P. | | 登録日 | 2006-02-07 | | 公開日 | 2006-08-08 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of nonstructural protein 10 from the severe acute respiratory syndrome coronavirus reveals a novel fold with two zinc-binding motifs.
J.Virol., 80, 2006
|
|
2FAV
 | |
2GT7
 | | Crystal structure of SARS coronavirus main peptidase at pH 6.0 in the space group P21 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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 (1.82 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
|
|
2AMD
 | | Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 | | 分子名称: | 3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE | | 著者 | Yang, H, Xue, X, Yang, K, Zhao, Q, Bartlam, M, Rao, Z. | | 登録日 | 2005-08-09 | | 公開日 | 2005-09-13 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
|
|
7LMH
 | | SARS-CoV-1 3CLPro in complex with 2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(4-(pyridin-3-yl)phenyl)-N-(thiophen-3-ylmethyl)acetamide | | 分子名称: | 2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide, 3C-like proteinase, GLYCEROL | | 著者 | Arya, T, Goins, C.M, Macdonald, J.D, Stauffer, S.R. | | 登録日 | 2021-02-05 | | 公開日 | 2021-08-11 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
|
|
7K0G
 | | 1.85 A resolution structure of SARS-CoV 3CL protease in complex with deuterated 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, Replicase polyprotein 1a | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | 登録日 | 2020-09-04 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
2FE8
 | | SARS coronavirus papain-like protease: structure of a viral deubiquitinating enzyme | | 分子名称: | BROMIDE ION, Replicase polyprotein 1ab, SULFATE ION, ... | | 著者 | Ratia, K, Santarsiero, B.D, Mesecar, A.D. | | 登録日 | 2005-12-15 | | 公開日 | 2006-03-21 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Severe acute respiratory syndrome coronavirus papain-like protease: Structure of a viral deubiquitinating enzyme
Proc.Natl.Acad.Sci.Usa, 103, 2006
|
|
2Z9K
 | |
2GZ7
 | |
2Z9G
 | |
1Q2W
 | | X-Ray Crystal Structure of the SARS Coronavirus Main Protease | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like protease | | 著者 | Bonanno, J.B, Fowler, R, Gupta, S, Hendle, J, Lorimer, D, Romero, R, Sauder, J.M, Wei, C.L, Liu, E.T, Burley, S.K, Harris, T. | | 登録日 | 2003-07-26 | | 公開日 | 2003-07-29 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Company Says It Mapped Part of SARS Virus
New York Times, 30 July, 2003
|
|
8C0G
 | | SARS-CoV nsp16-nsp10 complexed with N7-GTP | | 分子名称: | DI(HYDROXYETHYL)ETHER, Non-structural protein 7, SODIUM ION, ... | | 著者 | Ferron, F, Debarnot, C, Coutard, B, Canard, B, Marseilles Structural Genomics Program @ AFMB (MSGP) | | 登録日 | 2022-12-16 | | 公開日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Observation of N7-GTP in nsp16-nsp10 Sars-CoV
To Be Published
|
|
2A5I
 | | Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in the space group C2 | | 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, 1,2-ETHANEDIOL, 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 (1.88 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
|
|
4WY3
 | | 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
|
|
3SND
 | |
6Y7M
 | | Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | Zhang, L, Lin, D, Hilgenfeld, R. | | 登録日 | 2020-03-01 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
|
|
2C3S
 | | Structure Of Sars Cov Main Proteinase At 1.9 A (Ph6.5) | | 分子名称: | SARS COV 3C-LIKE PROTEINASE | | 著者 | Xu, T, Ooi, A, Lee, H.-C, Lescar, J. | | 登録日 | 2005-10-12 | | 公開日 | 2005-10-18 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of the Sars Coronavirus Main Proteinase as an Active C2 Crystallographic Dimer.
Acta Crystallogr.,Sect.F, 61, 2005
|
|
