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3TRF
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BU of 3trf by Molmil
Structure of a shikimate kinase (aroK) from Coxiella burnetii
Descriptor: SULFATE ION, Shikimate kinase
Authors:Cheung, J, Franklin, M, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQE
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BU of 3tqe by Molmil
Structure of the malonyl CoA-acyl carrier protein transacylase (fabD) from Coxiella burnetii
Descriptor: 1,2-ETHANEDIOL, GLYCINE, Malonyl-CoA-[acyl-carrier-protein] transacylase
Authors:Franklin, M.C, Cheung, J, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQS
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BU of 3tqs by Molmil
Structure of the dimethyladenosine transferase (ksgA) from Coxiella burnetii
Descriptor: Ribosomal RNA small subunit methyltransferase A
Authors:Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Franklin, M.C, Cassidy, M, Hillerich, B, Love, J.
Deposit date:2011-09-09
Release date:2011-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQA
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BU of 3tqa by Molmil
Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with NADPH
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Franklin, M.C, Cassidy, M, Hillerich, B, Love, J.
Deposit date:2011-09-09
Release date:2011-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
3TQ8
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BU of 3tq8 by Molmil
Structure of the dihydrofolate reductase (folA) from Coxiella burnetii in complex with trimethoprim
Descriptor: Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TRIMETHOPRIM
Authors:Franklin, M.C, Cassidy, M, Hillerich, B, Love, J.
Deposit date:2011-09-09
Release date:2011-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: Dihydrofolate reductase, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Franklin, M.C, Cassidy, M, Hillerich, B, Love, J.
Deposit date:2011-09-09
Release date:2011-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: FE (II) ION, Superoxide dismutase [Fe]
Authors:Franklin, M.C, Cheung, J, Cassidy, M, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
4LGR
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BU of 4lgr by Molmil
Ricin A chain bound to camelid nanobody (VHH3)
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
Deposit date:2013-06-28
Release date:2014-06-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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)
Descriptor: CHLORIDE ION, Camelid antibody, Ricin
Authors:Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
Deposit date:2013-07-01
Release date:2014-06-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Ricin Toxin's Enzymatic Subunit (RTA) in Complex with Neutralizing and Non-Neutralizing Single-Chain Antibodies.
J.Mol.Biol., 426, 2014
4LGS
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BU of 4lgs by Molmil
Ricin A chain bound to camelid nanobody (VHH4)
Descriptor: Camelid nanobody (VHH4), Ricin
Authors:Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
Deposit date:2013-06-28
Release date:2014-06-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Ricin, ...
Authors:Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
Deposit date:2013-06-28
Release date:2014-06-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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)
Descriptor: Camelid nanobody, Ricin
Authors:Rudolph, M.J, Cheung, J, Franklin, M, Burshteyn, F, Cassidy, M, Gary, E, Mantis, N.
Deposit date:2013-07-01
Release date:2014-06-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Ricin Toxin's Enzymatic Subunit (RTA) in Complex with Neutralizing and Non-Neutralizing Single-Chain Antibodies.
J.Mol.Biol., 426, 2014
4EY4
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BU of 4ey4 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in the Apo state
Descriptor: 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, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.156 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3509 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, Fasciculin-2, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5958 Å)
Cite: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
Descriptor: (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3983 Å)
Cite: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
Descriptor: 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, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3012 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
6G97
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BU of 6g97 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-methoxyethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
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
Descriptor: 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
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite: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
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2,3-dihydroisoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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
Descriptor: 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
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G92
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BU of 6g92 by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, ~{N}-(1,5-dimethylpyrazol-4-yl)-5-methyl-pyrimidin-2-amine
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of a Potent, Orally Bioavailable Inhibitor That Modulates the Phosphorylation and Catalytic Activity of ERK1/2.
J. Med. Chem., 61, 2018
6G9A
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BU of 6g9a by Molmil
Fragment-based discovery of a highly potent, orally bioavailable inhibitor which modulates the phosphorylation and catalytic activity of ERK1/2
Descriptor: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-(2-morpholin-4-ylethyl)-3~{H}-isoindol-1-one, Mitogen-activated protein kinase 1, SULFATE ION
Authors:O'Reilly, M.
Deposit date:2018-04-10
Release date:2018-05-30
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: 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, ...
Authors:O'Reilly, M.
Deposit date:2018-04-24
Release date:2018-05-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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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數據於2024-10-30公開中

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