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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
3SNC
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BU of 3snc by Molmil
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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BU of 3sn8 by Molmil
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
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
5IYT
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BU of 5iyt by Molmil
Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide
分子名称: EV-B93 main protease 3C, N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide
著者Kaczmarska, Z, Becker, D, Rademann, J, Coll, M.
登録日2016-03-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments.
Nat Commun, 7, 2016
7ZB7
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BU of 7zb7 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant Y54F at 1.63 A resolution
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL
著者Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A.
登録日2022-03-23
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
7ZB6
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BU of 7zb6 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant C44S at 2.12 A resolution
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A.
登録日2022-03-23
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
7ZB8
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BU of 7zb8 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant K61A at 2.48 A resolution
分子名称: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE
著者Paknia, E, Rabe von Pappenheim, F, Funk, L.-M, Tittmann, K, Chari, A.
登録日2022-03-23
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Multiple redox switches of the SARS-CoV-2 main protease in vitro provide opportunities for drug design.
Nat Commun, 15, 2024
5YXA
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BU of 5yxa by Molmil
Crystal structure of the C-terminal fragment of NS1 protein from yellow fever virus
分子名称: Non-structural protein 1
著者Wang, H, Song, H, Qi, J, Shi, Y, Gao, G.F.
登録日2017-12-04
公開日2018-01-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the C-terminal fragment of NS1 protein from yellow fever virus.
Sci China Life Sci, 60, 2017
7DNC
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BU of 7dnc by Molmil
Crystal structure of EV71 3C proteinase in complex with a novel inhibitor
分子名称: 3C protease, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Xie, H, Su, H.X, Li, M.J, Xu, Y.C.
登録日2020-12-09
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Peptidomimetic Aldehydes as Broad-Spectrum Inhibitors against Enterovirus and SARS-CoV-2.
J.Med.Chem., 65, 2022
4EMM
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BU of 4emm by Molmil
Crystal structure of Staphylococcus aureus ClpP in compact conformation
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Zhang, J, Liu, H, Yang, C.-G.
登録日2012-04-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
4EMP
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BU of 4emp by Molmil
Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus
分子名称: ATP-dependent Clp protease proteolytic subunit
著者Ye, F, Zhang, J, Liu, H, Luo, C, Yang, C.-G.
登録日2012-04-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
1WOF
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BU of 1wof by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Rao, Z.
登録日2004-08-18
公開日2005-08-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
3JZT
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BU of 3jzt by Molmil
Structure of a cubic crystal form of X (ADRP) domain from FCoV with ADP-ribose
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, CHLORIDE ION, SODIUM ION, ...
著者Wojdyla, J.A, Manolaridis, I, Tucker, P.A.
登録日2009-09-24
公開日2010-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.91 Å)
主引用文献Structure of the X (ADRP) domain of nsp3 from feline coronavirus
Acta Crystallogr.,Sect.D, 65, 2009
7AQE
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BU of 7aqe by Molmil
Structure of SARS-CoV-2 Main Protease bound to UNC-2327
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Guenther, S, Reinke, P, Meents, A.
登録日2020-10-21
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
3FAN
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BU of 3fan by Molmil
Crystal structure of chymotrypsin-like protease/proteinase (3CLSP/Nsp4) of porcine reproductive and respiratory syndrome virus (PRRSV)
分子名称: Non-structural protein, PHOSPHATE ION
著者Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F.
登録日2008-11-17
公開日2009-09-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV).
J.Mol.Biol., 392, 2009
3FAO
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BU of 3fao by Molmil
Crystal structure of S118A mutant 3CLSP of PRRSV
分子名称: Non-structural protein, PHOSPHATE ION
著者Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F.
登録日2008-11-17
公開日2009-10-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV).
J.Mol.Biol., 392, 2009
3ETI
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BU of 3eti by Molmil
Structure of a cubic crystal form of X (ADRP) domain from FCoV
分子名称: macro domain of Non-structural protein 3
著者Wojdyla, J.A, Manolaridis, I, Tucker, P.A.
登録日2008-10-08
公開日2009-10-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the X (ADRP) domain of nsp3 from feline coronavirus
Acta Crystallogr.,Sect.D, 65, 2009
3EW5
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BU of 3ew5 by Molmil
Structure of the tetragonal crystal form of X (ADRP) domain from FCoV
分子名称: CHLORIDE ION, SN-GLYCEROL-1-PHOSPHATE, SULFATE ION, ...
著者Wojdyla, J.A, Manolaridis, I, Tucker, P.A.
登録日2008-10-14
公開日2009-10-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of the X (ADRP) domain of nsp3 from feline coronavirus
Acta Crystallogr.,Sect.D, 65, 2009
2D2D
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BU of 2d2d by Molmil
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2
分子名称: 3C-like proteinase, ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
著者Yang, H, Bartlam, M, Xue, X, Yang, K, Liang, W, Ding, Y, Rao, Z.
登録日2005-09-08
公開日2005-09-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMP
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BU of 2amp by Molmil
Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
分子名称: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-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2024-10-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMD
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BU of 2amd by Molmil
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
2AMQ
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BU of 2amq by Molmil
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2024-10-30
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
1TUI
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INTACT ELONGATION FACTOR TU IN COMPLEX WITH GDP
分子名称: ELONGATION FACTOR TU, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Polekhina, G, Thirup, S, Kjeldgaard, M, Nissen, P, Lippmann, C, Nyborg, J.
登録日1996-05-23
公開日1997-06-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Helix unwinding in the effector region of elongation factor EF-Tu-GDP.
Structure, 4, 1996
1L9M
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BU of 1l9m by Molmil
Three-dimensional structure of the human transglutaminase 3 enzyme: binding of calcium ions change structure for activation
分子名称: BROMIDE ION, CALCIUM ION, CHLORIDE ION, ...
著者Ahvazi, B.
登録日2002-03-26
公開日2002-05-29
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Three-dimensional structure of the human transglutaminase 3 enzyme: binding of calcium ions changes structure for activation.
EMBO J., 21, 2002

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