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8IGA
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BU of 8iga by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant 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Wang, J, 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 (1.63 Å)
主引用文献Structural Basis for Coronaviral Main Proteases Inhibition by the 3CLpro Inhibitor GC376.
J.Mol.Biol., 436, 2024
8HUU
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BU of 8huu by Molmil
Crystal structure of HCoV-NL63 main protease with S217622
分子名称: 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Zeng, X.Y, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
1ZMH
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BU of 1zmh by Molmil
Crystal structure of human neutrophil peptide 2, HNP-2 (variant Gly16-> D-Ala)
分子名称: GLYCEROL, HEXAETHYLENE GLYCOL, Neutrophil defensin 2, ...
著者Lubkowski, J, Prahl, A, Lu, W.
登録日2005-05-10
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
1ZMI
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BU of 1zmi by Molmil
Crystal structure of human alpha_defensin-2 (variant GLY16->D-ALA), P 32 2 1 space group )
分子名称: GLYCEROL, Neutrophil defensin 2, SULFATE ION
著者Lubkowski, J, Prahl, A, Lu, W.
登録日2005-05-10
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
1ZMK
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BU of 1zmk by Molmil
Crystal structure of human alpha-defensin-2 (variant Gly16-> D-ALA), P 42 21 2 space group
分子名称: CHLORIDE ION, GLYCEROL, Neutrophil defensin 2
著者Lubkowski, J, Prahl, A, Lu, W.
登録日2005-05-10
公開日2005-08-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Reconstruction of the conserved beta-bulge in mammalian defensins using D-amino acids.
J.Biol.Chem., 280, 2005
2PM1
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BU of 2pm1 by Molmil
Derivative of human alpha-defensin 1 (HNP1)
分子名称: Neutrophil defensin 1 (HNP-1) (HP-1) (HP1) (Defensin, alpha 1)
著者Lubkowski, J, Pazgier, M, Lu, W.
登録日2007-04-20
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Derivative of human alpha-defensin 1 (HNP1)
To be Published
2PM4
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BU of 2pm4 by Molmil
Human alpha-defensin 1 (multiple Arg->Lys mutant)
分子名称: Neutrophil defensin 1 (HNP-1) (HP-1) (HP1) (Defensin, alpha 1)
著者Lubkowski, J, Pazgier, M, Lu, W.
登録日2007-04-20
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Toward understanding the cationicity of defensins. Arg and Lys versus their noncoded analogs.
J.Biol.Chem., 282, 2007
2PLZ
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BU of 2plz by Molmil
Arg-modified human beta-defensin 1 (HBD1)
分子名称: Beta-defensin 1, SULFATE ION
著者Lubkowski, J, Pazgier, M, Lu, W.
登録日2007-04-20
公開日2007-05-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Toward understanding the cationicity of defensins. Arg and Lys versus their noncoded analogs.
J.Biol.Chem., 282, 2007
2PM5
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BU of 2pm5 by Molmil
Human alpha-defensin 1 derivative (HNP1)
分子名称: Neutrophil defensin 1 (HNP-1) (HP-1) (HP1) (Defensin, alpha 1), PHOSPHATE ION
著者Lubkowski, J, Pazgier, M, Lu, W.
登録日2007-04-20
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human alpha-defensin 1 derivative (HNP1)
To be Published
8HUW
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BU of 8huw by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with S217622
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Wang, J, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUX
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BU of 8hux by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Li, W.W, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUR
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BU of 8hur by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with S217622
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Zhou, X.L, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUS
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BU of 8hus by Molmil
Crystal structure of SARS main protease in complex with S217622
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者Lin, C, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUT
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BU of 8hut by Molmil
Crystal structure of MERS main protease in complex with S217622
分子名称: 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ORF1a
著者Lin, C, Zhang, J, Li, J.
登録日2022-12-24
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
7VLP
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BU of 7vlp by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211
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, Replicase polyprotein 1a
著者Zhou, X.L, Zhong, F.L, Lin, C, 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 (1.50251937 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLQ
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BU of 7vlq by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121
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Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, 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 (1.939106 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VTC
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BU of 7vtc by Molmil
Crystal structure of MERS 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, Zhang, J, Li, J.
登録日2021-10-28
公開日2022-03-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53865623 Å)
主引用文献Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLO
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BU of 7vlo by Molmil
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
7WQJ
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BU of 7wqj by Molmil
Crystal structure of MERS main protease in complex with PF07304814
分子名称: 3C-like proteinase, [(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate
著者Lin, C, Zhang, J, Li, J.
登録日2022-01-25
公開日2022-08-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural Basis of Main Proteases of Coronavirus Bound to Drug Candidate PF-07304814
J.Mol.Biol., 434, 2022
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