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PDB: 84 件
6W7A
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BU of 6w7a by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease mutant E119D bound to DNA oligomer TAGCAT (uncleaved, 5mM overnight DNA soak)
分子名称: DNA (5'-D(P*TP*AP*GP*CP*AP*T)-3'), GLYCEROL, MANGANESE (II) ION, ...
著者Cuypers, M.G, Kumar, G, Webb, T, White, S.W.
登録日2020-03-18
公開日2021-02-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural insights into the substrate specificity of the endonuclease activity of the influenza virus cap-snatching mechanism.
Nucleic Acids Res., 49, 2021
5UXY
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BU of 5uxy by Molmil
The crystal structure of a DegV family protein from Eubacterium eligens loaded with heptadecanoic acid to 1.80 Angstrom resolution (ALTERNATIVE REFINEMENT OF PDB 3FDJ with HEPTADECANOIC acid)
分子名称: ACETIC ACID, DegV family protein, SODIUM ION, ...
著者Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O.
登録日2017-02-23
公開日2018-11-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with palmitic acid to 1.83 Angstroem resolution
J.Biol.Chem., 2018
7RKP
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BU of 7rkp by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with cyclic compound SJ001034733
分子名称: (5R)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2,6(28),11(27),12,14,22,24-octaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2021-07-22
公開日2022-07-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
5WOO
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BU of 5woo by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with Myristic acid (C14:0) to 1.78 Angstrom resolution
分子名称: EDD domain protein, DegV family, GLYCEROL, ...
著者Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O.
登録日2017-08-02
公開日2018-11-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
8DIP
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BU of 8dip by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023030
分子名称: (2P)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2022-06-29
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6MH9
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BU of 6mh9 by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein A121I mutant to 2.02 Angstrom resolution
分子名称: Fatty Acid Kinase (Fak) B1 protein, PALMITIC ACID
著者Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O.
登録日2018-09-17
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
6CNG
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BU of 6cng by Molmil
The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
分子名称: ACETATE ION, Fatty Acid Kinase (Fak) B3 protein, GLYCEROL, ...
著者Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O.
登録日2018-03-08
公開日2019-07-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
To Be Published
5JLT
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BU of 5jlt by Molmil
The crystal structure of the bacteriophage T4 MotA C-terminal domain in complex with dsDNA reveals a novel protein-DNA recognition motif
分子名称: DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*TP*GP*CP*TP*TP*AP*AP*TP*AP*AP*TP*CP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*GP*AP*TP*TP*AP*TP*TP*AP*AP*GP*CP*AP*AP*AP*GP*CP*TP*TP*C)-3'), Middle transcription regulatory protein motA
著者Cuypers, M.G, Robertson, R.M, Knipling, L, Hinton, D.M, White, S.W.
登録日2016-04-27
公開日2017-05-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.955 Å)
主引用文献The phage T4 MotA transcription factor contains a novel DNA binding motif that specifically recognizes modified DNA.
Nucleic Acids Res., 46, 2018
4CE8
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BU of 4ce8 by Molmil
Perdeuterated Pseudomonas aeruginosa Lectin II complex with hydrogenated L-Fucose and Calcium
分子名称: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ...
著者Cuypers, M.G, Mitchell, E.P, Mossou, E, Pokorna, M, Wimmerova, M, Imberty, A, Moulin, M, Haertlein, M, Forsyth, V.T.
登録日2013-11-10
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Perdeuterated Pseudomonas Aeruginosa Lectin II Complex with Hydrogenated L Fucose and Calcium
To be Published
7RM7
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BU of 7rm7 by Molmil
The X-ray crystal structure of the N-terminal domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 1-208) in complex with ADP to 1.025 Angstrom resolution
分子名称: ADENOSINE-5'-DIPHOSPHATE, Fatty Acid Kinase A, GLYCEROL, ...
著者Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W.
登録日2021-07-26
公開日2022-03-02
最終更新日2025-02-26
実験手法X-RAY DIFFRACTION (1.025 Å)
主引用文献Domain architecture and catalysis of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 298, 2022
6B9I
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BU of 6b9i by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 14-Methylhexadecanoic Acid (Anteiso C17:0) to 1.93 Angstrom resolution
分子名称: (14S)-14-methylhexadecanoic acid, Fatty acid Kinase (Fak) B1, GLYCEROL, ...
著者Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O.
登録日2017-10-10
公開日2018-10-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
6ALW
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BU of 6alw by Molmil
The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 12-Methyl Myristic Acid (C15:0) to 1.63 Angstrom resolution
分子名称: (12R)-12-methyltetradecanoic acid, (12S)-12-methyltetradecanoic acid, EDD domain protein, ...
著者Cuypers, M.G, Ericson, M, Subramanian, C, White, S.W, Rock, C.O.
登録日2017-08-08
公開日2018-11-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Acyl-chain selectivity and physiological roles ofStaphylococcus aureusfatty acid-binding proteins.
J. Biol. Chem., 294, 2019
7UMR
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BU of 7umr by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001034732-1 (trans-form)
分子名称: (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2022-04-07
公開日2022-10-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7UUH
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BU of 7uuh by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001034732-2 (cis-form)
分子名称: (1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2022-04-28
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
6DJ6
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BU of 6dj6 by Molmil
The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein loaded with cis-oleic acid to 1.9 Angstrom resolution
分子名称: Fatty Acid Kinase (Fak) B2 protein (SPR1019), GLYCEROL, OLEIC ACID, ...
著者Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O.
登録日2018-05-24
公開日2019-05-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B2 protein (SPR1019) loaded with cis-oleic acid to 1.9 Angstrom resolution
To Be Published
6DKE
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BU of 6dke by Molmil
The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with palmitic acid (C16:0) to 1.76 Angstrom resolution
分子名称: Fatty Acid Kinase (Fak) B1 protein, PALMITIC ACID
著者Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O.
登録日2018-05-29
公開日2019-05-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The X-ray crystal structure of Streptococcus pneumoniae Fatty Acid Kinase (Fak) B1 protein loaded with palmitic acid (C16:0) to 1.76 Angstrom resolution
To Be Published
5AI3
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BU of 5ai3 by Molmil
X-ray structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.02A resolution at 295K in a quartz capillary
分子名称: CADMIUM ION, RUBREDOXIN
著者Cuypers, M.G, Mitchell, E.P.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
5AI2
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BU of 5ai2 by Molmil
Anomalous Neutron phased crystal structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.75A resolution at 295K
分子名称: CADMIUM ION, RUBREDOXIN, deuterium(1+)
著者Cuypers, M.G, Mossou, E, Mason, S.A.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.75 Å)
主引用文献Macromolecular Structure Phasing by Neutron Anomalous Diffraction.
Sci.Rep., 6, 2016
2C2J
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BU of 2c2j by Molmil
Crystal Structure Of The Dps92 From Deinococcus Radiodurans
分子名称: DNA-BINDING STRESS RESPONSE PROTEIN, FE (III) ION, MAGNESIUM ION
著者Cuypers, M.G, Romao, C.V, Mitchell, E, McSweeney, S.
登録日2005-09-29
公開日2007-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The Crystal Structure of the Dps2 from Deinococcus Radiodurans Reveals an Unusual Pore Profile with a Non-Specific Metal Binding Site.
J.Mol.Biol., 371, 2007
2C6R
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BU of 2c6r by Molmil
FE-SOAKED CRYSTAL STRUCTURE OF THE DPS92 FROM DEINOCOCCUS RADIODURANS
分子名称: CHLORIDE ION, DNA-BINDING STRESS RESPONSE PROTEIN, DPS FAMILY, ...
著者Cuypers, M.G, Romao, C.V, Mitchell, E, Mcsweeney, S.
登録日2005-11-11
公開日2007-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of the Dps2 from Deinococcus Radiodurans Reveals an Unusual Pore Profile with a Non-Specific Metal Binding Site.
J.Mol.Biol., 371, 2007
4AR6
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BU of 4ar6 by Molmil
X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution.
分子名称: FE (III) ION, RUBREDOXIN
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2012-12-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.92 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR4
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BU of 4ar4 by Molmil
Neutron crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin to 1.38 Angstrom resolution.
分子名称: FE (III) ION, Rubredoxin, deuterium(1+), ...
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2013-01-16
最終更新日2024-06-19
実験手法NEUTRON DIFFRACTION (1.381 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR3
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BU of 4ar3 by Molmil
Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin.
分子名称: FE (III) ION, Rubredoxin, deuterium(1+), ...
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2013-01-16
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (1.05 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation State Equilibria in Redox Changes.
Angew.Chem.Int.Ed.Engl., 52, 2013
4AR5
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BU of 4ar5 by Molmil
X-ray crystallographic structure of the oxidised form perdeuterated Pyrococcus furiosus rubredoxin in D2O at 295K (in quartz capillary) to 1.00 Angstrom resolution.
分子名称: FE (III) ION, RUBREDOXIN
著者Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T.
登録日2012-04-20
公開日2012-12-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes
Angew.Chem.Int.Ed.Engl., 52, 2013
8DTW
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BU of 8dtw by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023036
分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MAGNESIUM ION, ...
著者Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
登録日2022-07-26
公開日2022-09-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023

 

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