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4NGA
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BU of 4nga by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
分子名称: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
著者Wei, A, Anumula, R.
登録日2013-11-01
公開日2014-01-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4YT7
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BU of 4yt7 by Molmil
Factor VIIa in complex with the inhibitor 2-(2-{(R)-[(4-carbamimidoylphenyl)amino][5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl]methyl}-1H-imidazol-4-yl)benzamide
分子名称: 2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide, CALCIUM ION, Coagulation factor VII (heavy chain), ...
著者Wei, A.
登録日2015-03-17
公開日2015-04-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5BTU
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BU of 5btu by Molmil
The structure of Diels-Alderase PyrI4 in the biosynthetic pathway of pyrroindomycins
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, PyrI4
著者Pan, L, Guo, Y, Liu, J.
登録日2015-06-03
公開日2016-02-24
最終更新日2016-03-30
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
5BU3
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BU of 5bu3 by Molmil
Crystal Structure of Diels-Alderase PyrI4 in complex with its product
分子名称: (4S,4aS,6aS,8R,9R,10aR,13R,14aS,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,5,6,6a,7,8,9,10,10a,13,14,18a,18b-hexadecahydro-1H-14a,17-(metheno)benzo[b]naphtho[2,1-h]azacyclododecine-16,18(15H,17H)-dione, GLYCEROL, PyrI4
著者Pan, L, Guo, Y, Liu, J.
登録日2015-06-03
公開日2016-02-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Enzyme-Dependent [4 + 2] Cycloaddition Depends on Lid-like Interaction of the N-Terminal Sequence with the Catalytic Core in PyrI4
Cell Chem Biol, 23, 2016
7RX2
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BU of 7rx2 by Molmil
afTMEM16 in C22 lipid nanodiscs with MSP1E3 scaffold protein in the presnece of Ca2+
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, afTMEM16 lipid scramblase
著者Falzone, M.E, Accardi, A.
登録日2021-08-21
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RXA
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BU of 7rxa by Molmil
afTMEM16 DE/AA mutant in C14 lipid nanodiscs in the presence of Ca2+
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, afTMEM16 lipid scramblase
著者Feng, Z, Accardi, A.
登録日2021-08-22
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RXH
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BU of 7rxh by Molmil
afTMEM16 in C18 lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+, monomer with extra lipids
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, afTMEM16 lipid scramblase
著者Falzone, M.E, Accardi, A.
登録日2021-08-23
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RXB
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BU of 7rxb by Molmil
afTMEM16 lipid scramblase in C18 lipid nanodiscs in the absence of Ca2+
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, afTMEM16 lipid scramblase
著者Feng, Z, Accardi, A.
登録日2021-08-22
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RX3
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BU of 7rx3 by Molmil
afTMEM16 in C14 lipid nanodiscs with MSP1E3 scaffold protein in the absence of Ca2+
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, afTMEM16 lipid scramblase
著者Falzone, M.E, Accardi, A.
登録日2021-08-21
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RXG
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BU of 7rxg by Molmil
afTMEM16 in C18 lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+, full dimer
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, afTMEM16 lipid scramblase
著者Falzone, M.E, Accardi, A.
登録日2021-08-23
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.28 Å)
主引用文献TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RWJ
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BU of 7rwj by Molmil
afTMEM16 in C22 lipid nanodiscs with MSP2N2 scaffold protein in the presnece of Ca2+
分子名称: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Plasma membrane channel protein (Aqy1), ...
著者Falzone, M.E, Accardi, A.
登録日2021-08-20
公開日2022-05-18
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
4X9J
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BU of 4x9j by Molmil
EGR-1 with Doubly Methylated DNA
分子名称: DNA (5'-D(*AP*GP*(5CM)P*GP*TP*GP*GP*GP*(5CM)P*GP*T)-3'), DNA (5'-D(*TP*AP*(5CM)P*GP*CP*CP*CP*AP*(5CM)P*GP*C)-3'), Early growth response protein 1, ...
著者White, M.A, Zandarashvili, L, Iwahara, J.
登録日2014-12-11
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.412 Å)
主引用文献Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1.
Febs Lett., 589, 2015
4XIC
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BU of 4xic by Molmil
ANTPHD WITH 15BP di-thioate modified DNA DUPLEX
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*AP*GP*AP*AP*AP*GP*CP*(C2S)P*AP*TP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*TP*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), ...
著者White, M.A, Zandarashvili, L, Iwahara, J.
登録日2015-01-06
公開日2015-11-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Entropic Enhancement of Protein-DNA Affinity by Oxygen-to-Sulfur Substitution in DNA Phosphate.
Biophys.J., 109, 2015
7YVE
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BU of 7yve by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH027 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH027 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVP
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Omicron BA.4/5 SARS-CoV-2 S in complex with TH272/281 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVG
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BU of 7yvg by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH132 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVK
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BU of 7yvk by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH272 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVN
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BU of 7yvn by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH281 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH281 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVM
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BU of 7yvm by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
分子名称: Spike glycoprotein, TH281 Fab heavy chain, TH281 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVO
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BU of 7yvo by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH027/132 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVH
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BU of 7yvh by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH132 Fab
分子名称: Spike glycoprotein, TH132 Fab heavy chain, TH132 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVF
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Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH027 Fab
分子名称: Spike glycoprotein, TH027 Fab heavy chain, TH027 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVJ
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Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH236 Fab
分子名称: Spike glycoprotein, TH236 Fab heavy chain, TH236 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVL
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Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
分子名称: Spike glycoprotein, TH272 Fab heavy chain, TH272 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVI
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BU of 7yvi by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH236 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH236 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023

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