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PDB: 171 件
2C0Y
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THE CRYSTAL STRUCTURE OF A CYS25ALA MUTANT OF HUMAN PROCATHEPSIN S
分子名称: PROCATHEPSIN S
著者Kaulmann, G, Palm, G.J, Schilling, K, Hilgenfeld, R, Wiederanders, B.
登録日2005-09-08
公開日2006-11-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of a Cys25 -> Ala Mutant of Human Procathepsin S Elucidates Enzyme-Prosequence Interactions.
Protein Sci., 15, 2006
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
2WCT
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human SARS coronavirus unique domain (triclinic form)
分子名称: NON-STRUCTURAL PROTEIN 3
著者Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R.
登録日2009-03-16
公開日2009-05-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.79 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
7B83
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Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
分子名称: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, CHLORIDE ION, ...
著者Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2020-12-12
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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
3TIT
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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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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
3SNA
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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
3SND
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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
3SNC
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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
3SN8
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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
3TNS
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Crystal structure of SARS coronavirus main protease complexed with an alpha, beta-unsaturated ethyl ester inhibitor SG83
分子名称: ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-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2011-09-01
公開日2012-09-05
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 peptidic unsaturated esters
To be Published
3SZN
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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
3SNB
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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
3RK6
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BU of 3rk6 by Molmil
Crystal structure of the middle domain of human Paip1
分子名称: Polyadenylate-binding protein-interacting protein 1
著者Lei, J, Mesters, J.R, Hilgenfeld, R.
登録日2011-04-17
公開日2011-05-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the middle domain of human poly(A)-binding protein-interacting protein 1.
Biochem.Biophys.Res.Commun., 408, 2011
1UJ1
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BU of 1uj1 by Molmil
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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BU of 1uk4 by Molmil
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
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
3ZVG
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BU of 3zvg by Molmil
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98
分子名称: 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3P38
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BU of 3p38 by Molmil
Crystal structure of the NS1 effector domain W182A mutant from influenza A/Vietnam/1203/2004 (H5N1) virus
分子名称: Nonstructural protein 1
著者Chen, S, Xiao, Y.B, Bricogne, G, Sharff, A.J, Hilgenfeld, R.
登録日2010-10-04
公開日2011-10-05
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献X-ray structures of the NS1 effector domain from highly pathogenic influenza A/Vietnam/1203/2004 (H5N1) virus
To be Published
3ZVE
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84
分子名称: 3C PROTEASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZV9
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3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 74
分子名称: 3C PROTEASE, ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
著者Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R.
登録日2011-07-24
公開日2012-08-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
3ZYD
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Crystal structure of 3C protease of coxsackievirus B3
分子名称: 3C PROTEINASE, GLYCEROL
著者Tan, J, Anand, K, Mesters, J.R, Hilgenfeld, R.
登録日2011-08-22
公開日2012-08-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Peptidic Ab-Nonsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
To be Published

222036

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