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PDB: 84 件
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
8EDZ
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BU of 8edz by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ000986319
分子名称: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Cuypers, M.G, Slavish, J.P, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2022-09-06
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ000986319
To Be Published
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
5OME
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BU of 5ome by Molmil
The cryofrozen atomic resolution X-ray crystal structure of the reduced form (Fe2+) perdeuterated Pyrococcus furiosus Rubredoxin in D2O (100K, 0.75 Angstrom resolution)
分子名称: FE (III) ION, PHOSPHATE ION, Rubredoxin, ...
著者Cuypers, M.G, Mason, S.A, Mossou, E, Haertlein, M, Mitchell, E.P, Forsyth, V.T.
登録日2017-07-31
公開日2018-09-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (0.747 Å)
主引用文献The cryofrozen atomic resolution X-ray crystal structure of the reduced form (Fe2+) perdeuterated Pyrococcus furiosus Rubredoxin in D2O (100K, 0.75 Angstrom resolution)
To Be Published
5NW3
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BU of 5nw3 by Molmil
The cryofrozen atomic resolution X-ray crystal structure of perdeuterated Pyrococcus furiosus Rubredoxin (100K, 0.59A resolution)
分子名称: FE (III) ION, PHOSPHATE ION, POTASSIUM ION, ...
著者Cuypers, M.G, Mason, S.A, Mossou, E, Haertlein, M, Forsyth, V.T.
登録日2017-05-04
公開日2017-06-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.59 Å)
主引用文献The cryofrozen atomic resolution X-ray crystal structure of perdeuterated Pyrococcus furiosus Rubredoxin (100K, 0.59A resolution)
To Be Published
7LP8
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BU of 7lp8 by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
分子名称: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
To Be Published
7LP7
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BU of 7lp7 by Molmil
The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
分子名称: (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2021-02-11
公開日2022-02-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476
To Be Published
6WS3
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The crystal structure of the 2009/H1N1/California PA endonuclease wild type bound to DNA oligomers TG and AGCA (from cleaved GTGAGCAGTG)
分子名称: DNA (5'-D(P*TP*G)-3'), GLYCEROL, MANGANESE (II) ION, ...
著者Cuypers, M.G, Kumar, G, Webb, T, White, S.W.
登録日2020-04-30
公開日2021-02-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 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
6TGT
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BU of 6tgt by Molmil
The Calcium soaked crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 2.16A resolution (Soaked in CaCl2 [5mM] for 20 min).
分子名称: CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION
著者Cuypers, M.G, Romao, C.V, Mitchell, E.P, McSweeney, S.
登録日2019-11-18
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献The Calcium soaked crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 2.16A resolution (Soaked in CaCl2 [5mM] for 20 min).
To Be Published
6TB5
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BU of 6tb5 by Molmil
The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
分子名称: CALCIUM ION, DNA protection during starvation protein 2, FE (III) ION
著者Cuypers, M.G, McSweeney, S, Romao, C.V, Mitchell, E.P.
登録日2019-10-31
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The crystal structure of the DPS2 from DEINOCOCCUS RADIODURANS to 1.83A resolution (sequentially soaked in CaCl2 [5mM] for 20 min, then in Ammonium iron(II) sulfate [10mM] for 2h).
To Be Published
7LM4
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BU of 7lm4 by Molmil
The crystal structure of the I38T mutant PA Endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988503
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W.
登録日2021-02-05
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.35 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
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
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
6WIJ
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BU of 6wij by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986448
分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2020-04-10
公開日2021-04-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.44 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
6WJ4
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BU of 6wj4 by Molmil
The crystal structure of the 2009/H1N1/California PA endonuclease wild type in complex with SJ000986448
分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2020-04-11
公開日2021-04-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.55 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
7UQ1
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BU of 7uq1 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 AMP and a single Mg ion at the dinuclear binding site
分子名称: ADENOSINE MONOPHOSPHATE, Fatty Acid Kinase A, GLYCEROL, ...
著者Cuypers, M.G, Subramanian, C, Seetharaman, J, Rock, C.O, White, S.W.
登録日2022-04-18
公開日2022-05-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Domain architecture and catalysis of the Staphylococcus aureus fatty acid kinase.
J.Biol.Chem., 298, 2022
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
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
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
8DQS
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BU of 8dqs by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032
分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[4-(trifluoromethyl)phenyl]-3,6-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2022-07-19
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032
To Be Published
8E1Q
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BU of 8e1q by Molmil
The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-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2022-08-11
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of the I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044
To Be Published
8E4S
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BU of 8e4s by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023034
分子名称: 5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-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2022-08-18
公開日2022-09-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 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
8E21
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BU of 8e21 by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023034
分子名称: 5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-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2022-08-12
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023034
To Be Published
8DVO
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BU of 8dvo by Molmil
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044
分子名称: 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-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2022-07-29
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044
To Be Published

 

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