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8DKB
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BU of 8dkb by Molmil
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
分子名称: N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide, YEATS domain-containing protein 4
著者Dias, J.M, Byrnes, L.J, Varghese, A.H.
登録日2022-07-05
公開日2023-01-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
J.Med.Chem., 66, 2023
8GOU
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Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-25
公開日2023-06-28
最終更新日2025-07-02
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
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
分子名称: Spike protein S1, scFv
著者Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
登録日2022-08-27
公開日2023-06-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.51 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
4YT6
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BU of 4yt6 by Molmil
Factor VIIa in complex with the inhibitor 4-{[(R)-[5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl](4-phenyl-1H-imidazol-2-yl)methyl]amino}benzenecarboximidamide
分子名称: 4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide, 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2024-10-09
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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2024-10-16
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
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2025-06-04
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
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
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
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2025-06-04
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2025-05-14
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
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
9B4J
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BU of 9b4j by Molmil
Filament of D-TLKIVWS, a D-peptide that disaggregates Alzheimer's Paired Helical Filaments, determined by Cryo-EM
分子名称: DTH-DLE-DLY-DIL-DVA-DTR-DSN
著者Hou, K, Ge, P, Sawaya, M.R, Eisenberg, D.S.
登録日2024-03-20
公開日2025-03-12
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献How short peptides disassemble tau fibrils in Alzheimer's disease
Nature, 2025
9B4K
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BU of 9b4k by Molmil
Filament of D-TLKIVWR, a D-peptide that disaggregates Alzheimer's Paired Helical Filaments, determined by Cryo-EM
分子名称: DTH-DLE-DLY-DIL-DVA-DTR-DAR
著者Hou, K, Ge, P, Sawaya, M.R, Eisenberg, D.S.
登録日2024-03-20
公開日2025-03-12
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献How short peptides disassemble tau fibrils in Alzheimer's disease
Nature, 2025
9B4O
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BU of 9b4o by Molmil
Alzheimer's Tau Paired Helical Filaments, determined by CryoEM, before addition of D-peptide disaggregants
分子名称: Microtubule-associated protein tau
著者Hou, K, Ge, P, Sawaya, M.R, Eisenberg, D.S.
登録日2024-03-21
公開日2025-03-12
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献How short peptides disassemble tau fibrils in Alzheimer's disease
Nature, 2025
9B4I
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BU of 9b4i by Molmil
Filament of D-TLKIVWI, a D-peptide that disaggregates Alzheimer's Paired Helical Filaments, determined by Cryo-EM
分子名称: DTH-DLE-DLY-DIL-DVA-DTR-DIL
著者Hou, K, Ge, P, Sawaya, M.R, Eisenberg, D.S.
登録日2024-03-20
公開日2025-03-12
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献How short peptides disassemble tau fibrils in Alzheimer's disease
Nature, 2025
9B4N
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BU of 9b4n by Molmil
Filament of Tau in complex with D-TLKIVWR, a D-peptide that disaggregates Alzheimer's Paired Helical Filaments, determined by Cryo-EM
分子名称: Microtubule-associated protein tau
著者Hou, K, Ge, P, Sawaya, M.R, Eisenberg, D.S.
登録日2024-03-21
公開日2025-03-12
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献How short peptides disassemble tau fibrils in Alzheimer's disease
Nature, 2025
9B4M
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BU of 9b4m by Molmil
Filament of Tau in complex with D-TLKIVWS, a D-peptide that disaggregates Alzheimer's Paired Helical Filaments, determined by Cryo-EM
分子名称: Microtubule-associated protein tau
著者Hou, K, Ge, P, Sawaya, M.R, Eisenberg, D.S.
登録日2024-03-20
公開日2025-03-12
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献How short peptides disassemble tau fibrils in Alzheimer's disease
Nature, 2025
9B4L
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BU of 9b4l by Molmil
Filament of Tau in complex with D-TLKIVWI, a D-peptide that disaggregates Alzheimer's Paired Helical Filaments, determined by Cryo-EM
分子名称: DTH-DLE-DLY-DIL-DVA-DTR-DIL, Microtubule-associated protein tau, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
著者Hou, K, Ge, P, Sawaya, M.R, Eisenberg, D.S.
登録日2024-03-20
公開日2025-03-12
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献How short peptides disassemble tau fibrils in Alzheimer's disease
Nature, 2025
3NEW
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BU of 3new by Molmil
p38-alpha complexed with Compound 10
分子名称: 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14
著者Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D.
登録日2010-06-09
公開日2010-12-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
3O17
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BU of 3o17 by Molmil
Crystal Structure of JNK1-alpha1 isoform
分子名称: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ...
著者Abad-Zapatero, C.
登録日2010-07-20
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
8K04
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BU of 8k04 by Molmil
CryoEM structure of a 2,3-hydroxycinnamic acid 1,2-dioxygenase MhpB in apo form
分子名称: 2,3-dihydroxyphenylpropionate/2,3-dihydroxicinnamic acid 1,2-dioxygenase
著者Jiang, W.X, Cheng, X.Q, Ma, L.X, Xing, Q.
登録日2023-07-07
公開日2024-07-10
最終更新日2025-02-12
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Structural and catalytic insights into MhpB: A dioxygenase enzyme for degrading catecholic pollutants.
J Hazard Mater, 488, 2025
4XIC
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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
5VGU
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BU of 5vgu by Molmil
Structure of Halothece sp. PCC 7418 CcmK4
分子名称: Microcompartments protein
著者Sutter, M, Sommer, M, Kerfeld, C.A.
登録日2017-04-11
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.80719328 Å)
主引用文献Heterohexamers Formed by CcmK3 and CcmK4 Increase the Complexity of Beta Carboxysome Shells.
Plant Physiol., 179, 2019
4X9J
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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

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