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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
Descriptor: 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ...
Authors: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)
Deposit date:2023-02-14
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite: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
Descriptor: DNA/RNA (185-MER), Histone H1.0-B, Histone H2A type 1, ...
Authors: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.
Deposit date:2022-07-01
Release date:2022-12-14
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (10 Å)
Cite: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
Descriptor: 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
Authors:Furey, W, Arjunan, P, Chandrasekhar, K.
Deposit date:2007-08-01
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite: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
Descriptor: MAGNESIUM ION, Pyruvate dehydrogenase E1 component, THIAMINE DIPHOSPHATE
Authors:Furey, W, Arjunan, P, Chandrasekhar, K.
Deposit date:2007-08-01
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 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
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.688 Å)
Cite: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
Descriptor: 2-[4-{[2-(dimethylamino)ethyl](ethyl)carbamoyl}-5-(4-methoxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.755 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Linked KDM5A Jmj Domain, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.852 Å)
Cite: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
Descriptor: 2-(5-phenyl-4-{(R)-phenyl[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrazol-1-yl)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.689 Å)
Cite: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
Descriptor: 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, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-06-10
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.987 Å)
Cite: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
Descriptor: Histone H2A, Histone H2B 1.1, Histone H3-like centromeric protein A, ...
Authors:Boopathi, R, Danev, R, Petosa, C, Bednar, J.
Deposit date:2019-11-12
Release date:2020-04-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: DNA (197-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Zhou, B.-R, Bai, Y.
Deposit date:2020-09-17
Release date:2020-11-25
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite: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
Descriptor: DNA (197-MER), Histone H1.10, Histone H2A type 1-B/E, ...
Authors:Zhou, B.-R, Bai, Y.
Deposit date:2020-09-17
Release date:2020-11-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite: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
Descriptor: DNA (197-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Zhou, B.-R, Bai, Y.
Deposit date:2020-09-18
Release date:2020-11-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite: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
Descriptor: DNA (197-MER), Histone H1.0, Histone H2A type 1-B/E, ...
Authors:Zhou, B.-R, Bai, Y.
Deposit date:2020-09-17
Release date:2020-11-25
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite: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
Descriptor: DNA (197-MER), Histone H1.4, Histone H2A type 1-B/E, ...
Authors:Zhou, B.-R, Bai, Y.
Deposit date:2020-09-17
Release date:2020-11-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Distinct Structures and Dynamics of Chromatosomes with Different Human Linker Histone Isoforms.
Mol.Cell, 81, 2021

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PDB entries from 2024-10-30

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