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3TRB
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BU of 3trb by Molmil
Structure of an addiction module antidote protein of a HigA (higA) family from Coxiella burnetii
分子名称: Virulence-associated protein I
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQH
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BU of 3tqh by Molmil
Structure of the quinone oxidoreductase from Coxiella burnetii
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Quinone oxidoreductase, SULFATE ION
著者Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2016-01-20
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQP
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BU of 3tqp by Molmil
Structure of an enolase (eno) from Coxiella burnetii
分子名称: Enolase, MAGNESIUM ION, PHOSPHATE ION
著者Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TRI
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BU of 3tri by Molmil
Structure of a pyrroline-5-carboxylate reductase (proC) from Coxiella burnetii
分子名称: CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, ...
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TRE
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BU of 3tre by Molmil
Structure of a translation elongation factor P (efp) from Coxiella burnetii
分子名称: Elongation factor P
著者Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
登録日2011-09-09
公開日2011-09-28
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQB
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BU of 3tqb by Molmil
Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with folate
分子名称: Dihydrofolate reductase, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Franklin, M.C, Cassidy, M, Hillerich, B, Love, J.
登録日2011-09-09
公開日2011-11-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQJ
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BU of 3tqj by Molmil
Structure of the superoxide dismutase (Fe) (sodB) from Coxiella burnetii
分子名称: FE (II) ION, Superoxide dismutase [Fe]
著者Franklin, M.C, Cheung, J, Cassidy, M, Love, J.
登録日2011-09-09
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQ9
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BU of 3tq9 by Molmil
Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with methotrexate
分子名称: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Franklin, M.C, Cassidy, M, Hillerich, B, Love, J.
登録日2011-09-09
公開日2011-11-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4EY4
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BU of 4ey4 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in the Apo state
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.156 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EY7
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BU of 4ey7 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Donepezil
分子名称: 1,2-ETHANEDIOL, 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3509 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EY8
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BU of 4ey8 by Molmil
Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, Fasciculin-2, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5958 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EY5
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BU of 4ey5 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-huperzine A
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3012 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4EY6
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BU of 4ey6 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine
分子名称: (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
登録日2012-05-01
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3983 Å)
主引用文献Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
4LGS
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BU of 4lgs by Molmil
Ricin A chain bound to camelid nanobody (VHH4)
分子名称: Camelid nanobody (VHH4), Ricin
著者Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
登録日2013-06-28
公開日2014-06-11
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of Ricin Toxin's Enzymatic Subunit (RTA) in Complex with Neutralizing and Non-Neutralizing Single-Chain Antibodies.
J.Mol.Biol., 426, 2014
4LGR
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BU of 4lgr by Molmil
Ricin A chain bound to camelid nanobody (VHH3)
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
著者Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
登録日2013-06-28
公開日2014-06-11
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal Structures of Ricin Toxin's Enzymatic Subunit (RTA) in Complex with Neutralizing and Non-Neutralizing Single-Chain Antibodies.
J.Mol.Biol., 426, 2014
4LHJ
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BU of 4lhj by Molmil
Ricin A chain bound to camelid nanobody (VHH5)
分子名称: CHLORIDE ION, Camelid antibody, Ricin
著者Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
登録日2013-07-01
公開日2014-06-11
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of Ricin Toxin's Enzymatic Subunit (RTA) in Complex with Neutralizing and Non-Neutralizing Single-Chain Antibodies.
J.Mol.Biol., 426, 2014
4LGP
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BU of 4lgp by Molmil
Ricin A chain bound to camelid nanobody (VHH1)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Ricin, ...
著者Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
登録日2013-06-28
公開日2014-06-11
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of Ricin Toxin's Enzymatic Subunit (RTA) in Complex with Neutralizing and Non-Neutralizing Single-Chain Antibodies.
J.Mol.Biol., 426, 2014
4LHQ
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BU of 4lhq by Molmil
Ricin A chain bound to camelid nanobody (VHH8)
分子名称: Camelid nanobody, Ricin
著者Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
登録日2013-07-01
公開日2014-06-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of Ricin Toxin's Enzymatic Subunit (RTA) in Complex with Neutralizing and Non-Neutralizing Single-Chain Antibodies.
J.Mol.Biol., 426, 2014
6G9H
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BU of 6g9h by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-methyl-ethanamide
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G93
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BU of 6g93 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9J
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BU of 6g9j by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{R})-1-phenylethyl]ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G8X
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BU of 6g8x by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 4-chloranyl-1~{H}-indazol-3-amine, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9D
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BU of 6g9d by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-~{tert}-butyl-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]ethanamide
著者O'Reilly, M.
登録日2018-04-10
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9M
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BU of 6g9m by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-(2-phenylpropan-2-yl)ethanamide, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M.
登録日2018-04-11
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6GDQ
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BU of 6gdq by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
分子名称: 4-[5-chloranyl-2-(propan-2-ylamino)pyridin-4-yl]-~{N}-[(1~{S})-1-(3-chlorophenyl)-2-oxidanyl-ethyl]-1~{H}-pyrrole-2-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ...
著者O'Reilly, M.
登録日2018-04-24
公開日2018-05-30
最終更新日2018-06-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018

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