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5V85
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BU of 5v85 by Molmil
The crystal structure of the protein of DegV family COG1307 from Ruminococcus gnavus ATCC 29149 (alternative refinement of PDB 3JR7 with Vaccenic acid)
分子名称: EDD domain protein, DegV family, PHOSPHATE ION, ...
著者Cuypers, M.G, Ericson, M, subramanian, C, White, S.W, Rock, C.O.
登録日2017-03-21
公開日2018-11-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.003 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
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
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
5VP8
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BU of 5vp8 by Molmil
I38T mutant of 2009 H1N1 PA Endonuclease
分子名称: 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-05-04
公開日2018-04-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
5VRJ
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BU of 5vrj by Molmil
2009 H1N1 PA Endonuclease in complex with RO-7 and Magnesium
分子名称: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MAGNESIUM ION, Polymerase acidic protein, ...
著者Kumar, G, White, S.W.
登録日2017-05-10
公開日2018-04-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
2HIM
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BU of 2him by Molmil
Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I
分子名称: 1,2-ETHANEDIOL, ASPARAGINE, ASPARTIC ACID, ...
著者Yun, M.K, Nourse, A, White, S.W, Rock, C.O, Heath, R.J.
登録日2006-06-29
公開日2007-05-15
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal Structure and Allosteric Regulation of the Cytoplasmic Escherichia coli L-Asparaginase I.
J.Mol.Biol., 369, 2007
3H21
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BU of 3h21 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: (2R)-2-(7-amino-1-methyl-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2C
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BU of 3h2c by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 1H-imidazo[4,5-d]pyridazine-4,7-diamine, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2N
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BU of 3h2n by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: (6R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2A
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BU of 3h2a by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2,6-diamino-5-nitropyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
2GQD
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BU of 2gqd by Molmil
The crystal structure of B-ketoacyl-ACP synthase II (FabF) from Staphylococcus aureus
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2
著者Miller, D.J, White, S.W, Zhang, Y.M, Rock, C.O.
登録日2006-04-20
公開日2006-05-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of B-ketoacyl-ACP synthase II (FabF) from Staphylococcus aureus
To be Published
3H23
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BU of 3h23 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 4-{3-[(2-amino-5-nitroso-6-oxo-1,6-dihydropyrimidin-4-yl)amino]propoxy}benzoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2E
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BU of 3h2e by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropteridine-6-carbaldehyde, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H24
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BU of 3h24 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-sulfanyl-1,9-dihydro-6H-purin-6-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2M
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BU of 3h2m by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-6-(2-hydroxy-2-methylpropyl)-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H22
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BU of 3h22 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2,6-diamino-5-nitrosopyrimidin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2O
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BU of 3h2o by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 4-{[2-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)ethyl]amino}benzoic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
2JPN
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BU of 2jpn by Molmil
Solution Structure of T4 Bacteriophage Helicase Uvsw.1
分子名称: ATP-dependent DNA helicase uvsW
著者Sivakolundu, S.G, Lee, T, White, S.W, Kriwacki, R.W.
登録日2007-05-17
公開日2007-07-10
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Crystallographic and NMR Analyses of UvsW and UvsW.1 from Bacteriophage T4
J.Biol.Chem., 282, 2007
3H26
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BU of 3h26 by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-methyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxylic acid, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
3H2F
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BU of 3h2f by Molmil
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
分子名称: 2-amino-8-methyl-7,8-dihydropteridin-4(3H)-one, Dihydropteroate synthase, SULFATE ION
著者Yun, M.-K, White, S.W.
登録日2009-04-14
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural studies of pterin-based inhibitors of dihydropteroate synthase.
J.Med.Chem., 53, 2010
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
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
4HNJ
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BU of 4hnj by Molmil
Crystallographic structure of BCL-xL domain-swapped dimer in complex with PUMA BH3 peptide at 2.9A resolution
分子名称: Bcl-2-binding component 3, Bcl-2-like protein 1
著者Fisher, J.C, Yun, M.K, White, S.W.
登録日2012-10-19
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis.
Nat.Chem.Biol., 9, 2013
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
4E5F
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BU of 4e5f by Molmil
Crystal structure of avian influenza virus PAn bound to compound 1
分子名称: 2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Polymerase protein PA, ...
著者DuBois, R.M, Slavish, P.J, Webb, T.R, White, S.W.
登録日2012-03-14
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.392 Å)
主引用文献Structural and Biochemical Basis for Development of Influenza Virus Inhibitors Targeting the PA Endonuclease.
Plos Pathog., 8, 2012
4D8Z
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Crystal structure of B. anthracis DHPS with compound 24
分子名称: (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoic acid, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D, Lee, R.E, White, S.W.
登録日2012-01-11
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structure-Based Design of Novel Pyrimido[4,5-c]pyridazine Derivatives as Dihydropteroate Synthase Inhibitors with Increased Affinity.
Chemmedchem, 7, 2012

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