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8G62
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BU of 8g62 by Molmil
Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
分子名称: 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
登録日2023-02-14
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
To Be Published
8AAG
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BU of 8aag by Molmil
H1-bound palindromic nucleosome, state 1
分子名称: DNA/RNA (185-MER), Histone H1.0-B, Histone H2A type 1, ...
著者Alegrio Louro, J, Beinsteiner, B, Cheng, T.C, Patel, A.K.M, Boopathi, R, Angelov, D, Hamiche, A, Bednar, J, Kale, S, Dimitrov, S, Klaholz, B.
登録日2022-07-01
公開日2022-12-14
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Nucleosome dyad determines the H1 C-terminus collapse on distinct DNA arms.
Structure, 31, 2023
2QTC
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BU of 2qtc by Molmil
E. coli Pyruvate dehydrogenase E1 component E401K mutant with phosphonolactylthiamin diphosphate
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, MAGNESIUM ION, Pyruvate dehydrogenase E1 component
著者Furey, W, Arjunan, P, Chandrasekhar, K.
登録日2007-08-01
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A Dynamic Loop at the Active Center of the Escherichia coli Pyruvate Dehydrogenase Complex E1 Component Modulates Substrate Utilization and Chemical Communication with the E2 Component
J.Biol.Chem., 282, 2007
2QTA
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BU of 2qta by Molmil
E. coli Pyruvate dehydrogenase E1 component E401K mutant with thiamin diphosphate
分子名称: MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE
著者Furey, W, Arjunan, P, Chandrasekhar, K.
登録日2007-08-01
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Dynamic Loop at the Active Center of the Escherichia coli Pyruvate Dehydrogenase Complex E1 Component Modulates Substrate Utilization and Chemical Communication with the E2 Component
J.Biol.Chem., 282, 2007
6DQF
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BU of 6dqf by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N68 i.e. 2-(1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)thieno[3,2-b]pyridine-7-carboxylic acid
分子名称: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid, Linked KDM5A Jmj Domain, MANGANESE (II) ION
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.688 Å)
主引用文献To be determined
To Be Published
6DQC
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BU of 6dqc by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N50 i.e. 2-(4-((2-(dimethylamino)ethyl)(ethyl)carbamoyl)-5-(4-methoxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.755 Å)
主引用文献To be determined
To Be Published
6DQ7
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BU of 6dq7 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE POTENTIAL HYDROLYSIS PRODUCT OF INHIBITOR N45 i.e. 3-((6-(4-(2-cyano-3-methylbut-2-enoyl)-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Structure-based Engineering of Reversible Covalent Inhibitors Against Histone Lysine Demethylase 5A
To Be Published
6DQE
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BU of 6dqe by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N67 i.e. 2-(5-phenyl-4-(phenyl(2-(piperidin-1-yl)ethoxy)methyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.689 Å)
主引用文献To be determined
To Be Published
6DQD
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BU of 6dqd by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N53 i.e. 2-(5-([1,1'-biphenyl]-3-yl)-4-(1-(2-(piperidin-1-yl)ethoxy)ethyl)-1H-pyrazol-1-yl)isonicotinic acid
分子名称: 2-[5-([1,1'-biphenyl]-3-yl)-4-{(1S)-1-[2-(piperidin-1-yl)ethoxy]ethyl}-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.987 Å)
主引用文献To be determined
To Be Published
6TEM
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BU of 6tem by Molmil
CENP-A nucleosome core particle with 145 base pairs of the Widom 601 sequence by cryo-EM
分子名称: Histone H2A, Histone H2B 1.1, Histone H3-like centromeric protein A, ...
著者Boopathi, R, Danev, R, Petosa, C, Bednar, J.
登録日2019-11-12
公開日2020-04-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Phase-plate cryo-EM structure of the Widom 601 CENP-A nucleosome core particle reveals differential flexibility of the DNA ends.
Nucleic Acids Res., 48, 2020
7K61
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BU of 7k61 by Molmil
Cryo-EM structure of 197bp nucleosome aided by scFv
分子名称: DNA (197-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Zhou, B.-R, Bai, Y.
登録日2020-09-17
公開日2020-11-25
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms.
Mol.Cell, 81, 2021
7K60
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BU of 7k60 by Molmil
Cryo-EM structure of a chromatosome containing human linker histone H1.10
分子名称: DNA (197-MER), Histone H1.10, Histone H2A type 1-B/E, ...
著者Zhou, B.-R, Bai, Y.
登録日2020-09-17
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms.
Mol.Cell, 81, 2021
7K63
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BU of 7k63 by Molmil
Cryo-EM structure of a chromatosome containing chimeric linker histone gH1.10-ncH1.4
分子名称: DNA (197-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
著者Zhou, B.-R, Bai, Y.
登録日2020-09-18
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms.
Mol.Cell, 81, 2021
7K5X
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BU of 7k5x by Molmil
Cryo-EM structure of a chromatosome containing human linker histone H1.0
分子名称: DNA (197-MER), Histone H1.0, Histone H2A type 1-B/E, ...
著者Zhou, B.-R, Bai, Y.
登録日2020-09-17
公開日2020-11-25
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms.
Mol.Cell, 81, 2021
7K5Y
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BU of 7k5y by Molmil
Cryo-EM structure of a chromatosome containing human linker histone H1.4
分子名称: DNA (197-MER), Histone H1.4, Histone H2A type 1-B/E, ...
著者Zhou, B.-R, Bai, Y.
登録日2020-09-17
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms.
Mol.Cell, 81, 2021

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件を2024-10-30に公開中

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