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8JEX
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BU of 8jex by Molmil
Cryo-EM structure of alpha-synuclein gS87 fibril
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein, unverified amino acid chain
著者Xia, W.C, Sun, Y.P, Liu, C.
登録日2023-05-16
公開日2024-04-17
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Phosphorylation and O-GlcNAcylation at the same alpha-synuclein site generate distinct fibril structures.
Nat Commun, 15, 2024
6DL2
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BU of 6dl2 by Molmil
BRD4 bromodomain 1 in complex with HYB157
分子名称: 1,2-ETHANEDIOL, 3-benzyl-2,9-dimethyl-4H,6H-thieno[2,3-e][1,2,4]triazolo[3,4-c][1,4]oxazepine, Bromodomain-containing protein 4
著者Meagher, J.L, Stuckey, J.A.
登録日2018-05-31
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of QCA570 as an Exceptionally Potent and Efficacious Proteolysis Targeting Chimera (PROTAC) Degrader of the Bromodomain and Extra-Terminal (BET) Proteins Capable of Inducing Complete and Durable Tumor Regression.
J. Med. Chem., 61, 2018
5JDK
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BU of 5jdk by Molmil
Crystal structure of the DNA binding domain of Sap1 in fission yeast S.pombe
分子名称: GLYCEROL, Switch-activating protein 1
著者He, P, Wang, T.
登録日2016-04-17
公開日2017-02-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (0.998 Å)
主引用文献Sap1 is a replication-initiation factor essential for the assembly of pre-replicative complex in the fission yeast Schizosaccharomyces pombe.
J. Biol. Chem., 292, 2017
5B7J
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BU of 5b7j by Molmil
Structure model of Sap1-DNA complex
分子名称: DNA (5'-D(*AP*AP*TP*AP*TP*TP*GP*TP*TP*TP*TP*G)-3'), DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*AP*TP*AP*TP*T)-3'), Switch-activating protein 1
著者Jin, C, Hu, Y, Ding, J, Zhang, Y.
登録日2016-06-07
公開日2017-02-22
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Sap1 is a replication-initiation factor essential for the assembly of pre-replicative complex in the fission yeast Schizosaccharomyces pombe
J. Biol. Chem., 292, 2017
8WR2
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BU of 8wr2 by Molmil
Crystal Structure of Human Pyridoxal Kinase with bound Luteolin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, DIMETHYL SULFOXIDE, ...
著者Fan, J, Zhu, Y.
登録日2023-10-12
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Discovery and characterization of natural product luteolin as an effective inhibitor of human pyridoxal kinase.
Bioorg.Chem., 143, 2024
7YTJ
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BU of 7ytj by Molmil
Cryo-EM structure of VTC complex
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, INOSITOL HEXAKISPHOSPHATE, PHOSPHATE ION, ...
著者Guan, Z.Y, Chen, J, Liu, R.W, Chen, Y.K, Xing, Q, Du, Z.M, Liu, Z.
登録日2022-08-15
公開日2023-02-22
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献The cytoplasmic synthesis and coupled membrane translocation of eukaryotic polyphosphate by signal-activated VTC complex.
Nat Commun, 14, 2023
6LKA
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BU of 6lka by Molmil
Crystal Structure of EV71-3C protease with a Novel Macrocyclic Compounds
分子名称: 3C proteinase, ~{N}-[(2~{S})-1-[[(2~{S},3~{S},6~{S},7~{Z},12~{E})-4,9-bis(oxidanylidene)-6-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
著者Li, P, Wu, S.Q, Xiao, T.Y.C, Li, Y.L, Su, Z.M, Hao, F, Hu, G.P, Hu, J, Lin, F.S, Chen, X.S, Gu, Z.X, He, H.Y, Li, J, Chen, S.H.
登録日2019-12-18
公開日2020-06-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.033 Å)
主引用文献Design, synthesis, and evaluation of a novel macrocyclic anti-EV71 agent.
Bioorg.Med.Chem., 28, 2020
5N21
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BU of 5n21 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1Z
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BU of 5n1z by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N1X
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BU of 5n1x by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5CA9
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BU of 5ca9 by Molmil
Structures of the candida albicans sey1p GTPase in complex with GDPAlF4-
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein SEY1, ...
著者Yan, L.
登録日2015-06-29
公開日2015-09-23
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
5CA8
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BU of 5ca8 by Molmil
Structures of the yeast dynamin-like GTPase Sey1p in complex with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein SEY1
著者Yan, L.
登録日2015-06-29
公開日2015-09-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of the yeast dynamin-like GTPase Sey1p provide insight into homotypic ER fusion
J.Cell Biol., 210, 2015
4M5E
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BU of 4m5e by Molmil
Tse3 structure
分子名称: CADMIUM ION, CALCIUM ION, GLYCEROL, ...
著者Qian, Y.
登録日2013-08-08
公開日2014-04-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
4M5F
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BU of 4m5f by Molmil
complex structure of Tse3-Tsi3
分子名称: CALCIUM ION, PHOSPHATE ION, Uncharacterized protein
著者Gu, L.C.
登録日2013-08-08
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
4N88
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BU of 4n88 by Molmil
Crystal structure of Tse3-Tsi3 complex with calcium ion
分子名称: CALCIUM ION, Uncharacterized protein
著者Shang, G.J.
登録日2013-10-17
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
4N7S
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BU of 4n7s by Molmil
Crystal structure of Tse3-Tsi3 complex with Zinc ion
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Shang, G.J.
登録日2013-10-16
公開日2014-04-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
4N80
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BU of 4n80 by Molmil
Crystal structure of Tse3-Tsi3 complex
分子名称: CALCIUM ION, Uncharacterized protein, ZINC ION
著者Shang, G.J.
登録日2013-10-16
公開日2014-04-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural insights into the T6SS effector protein Tse3 and the Tse3-Tsi3 complex from Pseudomonas aeruginosa reveal a calcium-dependent membrane-binding mechanism
Mol.Microbiol., 92, 2014
5N1V
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BU of 5n1v by Molmil
Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
5N20
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BU of 5n20 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
6J72
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BU of 6j72 by Molmil
Crystal structure of IniA from Mycobacterium smegmatis with GTP bound
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Isoniazid inducible gene protein IniA, L(+)-TARTARIC ACID, ...
著者Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
登録日2019-01-16
公開日2019-09-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
6J73
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BU of 6j73 by Molmil
Crystal structure of IniA from Mycobacterium smegmatis
分子名称: Isoniazid inducible gene protein IniA
著者Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
登録日2019-01-16
公開日2019-09-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.211 Å)
主引用文献Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
7Y5V
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BU of 7y5v by Molmil
Cryo-EM structure of the dimeric human CAF1LC-H3-H4 complex
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, C, Yu, Z.Y, Xu, R.M.
登録日2022-06-17
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
7Y5U
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BU of 7y5u by Molmil
Cryo-EM structure of the monomeric human CAF1LC-H3-H4 complex
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Yu, C, Xu, R.M.
登録日2022-06-17
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
7Y61
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BU of 7y61 by Molmil
Cryo-EM structure of the two CAF1LCs bound right-handed Di-tetrasome
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
著者Liu, C.P, Yu, Z.Y, Yu, C, Xu, R.M.
登録日2022-06-18
公開日2023-08-16
最終更新日2023-09-06
実験手法ELECTRON MICROSCOPY (5.6 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
7Y5K
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Crystal structure of human CAF-1 core complex in spacegroup C2221
分子名称: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, GLYCEROL, ...
著者Liu, C.P, Wang, M.Z, Xu, R.M.
登録日2022-06-17
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.48 Å)
主引用文献Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023

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