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7RLS
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BU of 7rls by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-68
分子名称: 3C-like proteinase, 6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-26
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RNK
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BU of 7rnk by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-71
分子名称: 3C-like proteinase, 6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-29
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RM2
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BU of 7rm2 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule-CSR-494190-S1
分子名称: 3C-like proteinase, 6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-26
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RME
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BU of 7rme by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-52
分子名称: 3C-like proteinase, 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-27
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RMB
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BU of 7rmb by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-78
分子名称: 3C-like proteinase, 6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-27
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
7RN4
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BU of 7rn4 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-69
分子名称: 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
著者Kovalevsky, A, Kneller, D.W, Coates, L.
登録日2021-07-29
公開日2021-11-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
5F9F
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BU of 5f9f by Molmil
Crystal structure of RIG-I helicase-RD in complex with 24-mer blunt-end hairpin RNA
分子名称: (R,R)-2,3-BUTANEDIOL, MAGNESIUM ION, Probable ATP-dependent RNA helicase DDX58, ...
著者Wang, C, Marcotrigiano, J, Miller, M.T, Jiang, F.
登録日2015-12-09
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Proc.Natl.Acad.Sci.USA, 113, 2016
5F98
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BU of 5f98 by Molmil
Crystal structure of RIG-I in complex with Cap-0 RNA
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Probable ATP-dependent RNA helicase DDX58, ...
著者Wang, C, Marcotrigiano, J, Miller, M, Jiang, F.
登録日2015-12-09
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Proc.Natl.Acad.Sci.USA, 113, 2016
5F9H
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BU of 5f9h by Molmil
Crystal structure of RIG-I helicase-RD in complex with 24-mer 5' triphosphate hairpin RNA
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Probable ATP-dependent RNA helicase DDX58, ...
著者Wang, C, Marcotrigiano, J, Miller, M, Jiang, F.
登録日2015-12-09
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Proc.Natl.Acad.Sci.USA, 113, 2016
5EAJ
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BU of 5eaj by Molmil
Crystal structure of DHFR in 0% Isopropanol
分子名称: CALCIUM ION, CHLORIDE ION, Dihydrofolate reductase, ...
著者Cuneo, M.J, Agarwal, P.K.
登録日2015-10-16
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.701 Å)
主引用文献Modulating Enzyme Activity by Altering Protein Dynamics with Solvent.
Biochemistry, 57, 2018
5E3H
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BU of 5e3h by Molmil
Structural Basis for RNA Recognition and Activation of RIG-I
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, GLYCEROL, ...
著者Jiang, F, Miller, M.T, Marcotrigiano, J.
登録日2015-10-02
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of RNA recognition and activation by innate immune receptor RIG-I.
Nature, 479, 2011
5EFM
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BU of 5efm by Molmil
Beclin 1 Flexible-helical Domian (FHD) (141-171)
分子名称: Beclin-1, SULFATE ION
著者Sinha, S, Mei, Y.
登録日2015-10-23
公開日2016-07-20
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conformational Flexibility Enables the Function of a BECN1 Region Essential for Starvation-Mediated Autophagy.
Biochemistry, 55, 2016
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