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PDB: 104 件
3VGN
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BU of 3vgn by Molmil
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol
分子名称: 3-fluoro-4-nitrophenol, Steroid Delta-isomerase
著者Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P.A.
登録日2011-08-16
公開日2012-08-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site
Proc.Natl.Acad.Sci.USA, 110, 2013
3VSY
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High-resolution crystal structure of wild-type KSI in the apo form at neutral pH
分子名称: SULFATE ION, Steroid Delta-isomerase
著者Caaveiro, J.M.M, Kobe, A, Tsumoto, K.
登録日2012-05-16
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Incorporation of rapid thermodynamic data in fragment-based drug discovery.
J.Med.Chem., 56, 2013
3W9P
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BU of 3w9p by Molmil
Crystal structure of monomeric FraC (second crystal form)
分子名称: Fragaceatoxin C
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2013-04-09
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSO
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BU of 4tso by Molmil
Crystal structure of FraC with DHPC bound (crystal form I)
分子名称: 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSP
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BU of 4tsp by Molmil
Crystal structure of FraC with DHPC bound (crystal form II)
分子名称: 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSL
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BU of 4tsl by Molmil
Crystal structure of FraC with POC bound (crystal form I)
分子名称: ACETATE ION, FORMIC ACID, Fragaceatoxin C, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSY
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BU of 4tsy by Molmil
Crystal structure of FraC with lipids
分子名称: 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, Fragaceatoxin C, HEPTANE-1,2,3-TRIOL, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSN
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BU of 4tsn by Molmil
Crystal structure of FraC with POC bound (crystal form II)
分子名称: ACETATE ION, Fragaceatoxin C, GLYCEROL, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
4TSQ
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Crystal structure of FraC with DHPC bound (crystal form III)
分子名称: 1,2-dihexanoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, Fragaceatoxin C, ...
著者Caaveiro, J.M.M, Tanaka, K, Tsumoto, K.
登録日2014-06-19
公開日2015-03-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
2INX
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BU of 2inx by Molmil
Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol
分子名称: 2,6-DIFLUOROPHENOL, Steroid delta-isomerase
著者Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D.
登録日2006-10-09
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.
J.Am.Chem.Soc., 130, 2008
4WY7
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BU of 4wy7 by Molmil
Crystal structure of recombinant 4E10 expressed in Escherichia coli with epitope bound
分子名称: Envelope glycoprotein gp160, Fab 4E10 Heavy chain, Fab 4E10Light chain, ...
著者Rujas, E, Morante, K, Tsumoto, K, Nieva, J.L, Caaveiro, J.M.M.
登録日2014-11-16
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Atomic Structure of the HIV-1 gp41 Transmembrane Domain and Its Connection to the Immunogenic Membrane-proximal External Region.
J.Biol.Chem., 290, 2015
4YRD
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BU of 4yrd by Molmil
Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone
分子名称: 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one, Capsular polysaccharide synthesis enzyme Cap5F, ZINC ION
著者Nakano, K, Chigira, T, Miyafusa, T, Nagatoishi, S, Caaveiro, J.M.M, Tsumoto, K.
登録日2015-03-15
公開日2015-10-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Discovery and characterization of natural tropolones as inhibitors of the antibacterial target CapF from Staphylococcus aureus.
Sci Rep, 5, 2015
5Y25
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BU of 5y25 by Molmil
EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062
分子名称: (2R)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoranylethanoyl)pyrrolidine-2-carboxamide, Epidermal growth factor receptor
著者Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A.
登録日2017-07-24
公開日2018-07-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.102 Å)
主引用文献Selective and reversible modification of kinase cysteines with chlorofluoroacetamides.
Nat.Chem.Biol., 15, 2019
4G5H
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BU of 4g5h by Molmil
Crystal structure of capsular polysaccharide synthesizing enzyme CapE from Staphylococcus aureus in complex with by-product
分子名称: Capsular polysaccharide synthesis enzyme Cap8E, FORMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Miyafusa, T, Caaveiro, J.M.M, Tanaka, Y, Tsumoto, K.
登録日2012-07-18
公開日2013-08-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Dynamic elements govern the catalytic activity of CapE, a capsular polysaccharide-synthesizing enzyme from Staphylococcus aureus.
Febs Lett., 587, 2013
3VWI
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BU of 3vwi by Molmil
High resolution crystal structure of FraC in the monomeric form
分子名称: AMMONIUM ION, CHLORIDE ION, Fragaceatoxin C, ...
著者Tanaka, K, Morante, K, Caaveiro, J.M.M, Gonzalez-Manas, J.M, Tsumoto, K.
登録日2012-08-23
公開日2013-08-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for self-assembly of a cytolytic pore lined by protein and lipid
Nat Commun, 6, 2015
3ST7
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BU of 3st7 by Molmil
Crystal Structure of capsular polysaccharide assembling protein CapF from staphylococcus aureus
分子名称: Capsular polysaccharide synthesis enzyme Cap5F, GLYCEROL, ZINC ION
著者Miyafusa, T, Tanaka, Y, Kuroda, M, Yao, M, Watanabe, M, Ohta, T, Tanaka, I, Caaveiro, J.M.M, Tsumoto, K.
登録日2011-07-09
公開日2012-02-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the enzyme CapF of Staphylococcus aureus reveals a unique architecture composed of two functional domains.
Biochem.J., 443, 2012
3QUG
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BU of 3qug by Molmil
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin
分子名称: GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ...
著者Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K.
登録日2011-02-24
公開日2011-03-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus.
Biochemistry, 50, 2011
3QUH
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BU of 3quh by Molmil
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Manganese(III)-porphyrin
分子名称: GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING MN
著者Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K.
登録日2011-02-24
公開日2011-03-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus.
Biochemistry, 50, 2011
3VTM
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BU of 3vtm by Molmil
Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin
分子名称: GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING INDIUM
著者Vu, N.T, Caaveiro, J.M.M, Moriwaki, Y, Tsumoto, K.
登録日2012-05-31
公開日2013-05-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Selective binding of antimicrobial porphyrins to the heme-receptor IsdH-NEAT3 of Staphylococcus aureus
Protein Sci., 22, 2013
3VHR
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BU of 3vhr by Molmil
Crystal Structure of capsular polysaccharide assembling protein CapF from Staphylococcus aureus in space group C2221
分子名称: Capsular polysaccharide synthesis enzyme Cap5F, FORMIC ACID, ZINC ION
著者Miyafusa, T, Yoshikazu, T, Caaveiro, J.M.M, Tsumoto, K.
登録日2011-09-01
公開日2012-02-15
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the enzyme CapF of Staphylococcus aureus reveals a unique architecture composed of two functional domains.
Biochem.J., 443, 2012
3VUA
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BU of 3vua by Molmil
Apo IsdH-NEAT3 in space group P3121 at a resolution of 1.85 A
分子名称: ACETATE ION, GLYCEROL, Iron-regulated surface determinant protein H, ...
著者Vu, N.T, Caaveiro, J.M.M, Moriwaki, Y, Tsumoto, K.
登録日2012-06-26
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin
To be Published
3VVB
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BU of 3vvb by Molmil
Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in apo form
分子名称: CapE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K.
登録日2012-07-18
公開日2013-06-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus.
Biosci.Rep., 33, 2013
3VVC
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BU of 3vvc by Molmil
Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE , K126E, in apo form
分子名称: Capsular polysaccharide synthesis enzyme Cap8E, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
著者Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K.
登録日2012-07-18
公開日2013-06-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus.
Biosci.Rep., 33, 2013
3W1V
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Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in complex with inihibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capsular polysaccharide synthesis enzyme Cap8E, SODIUM ION, ...
著者Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K.
登録日2012-11-21
公開日2013-06-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus.
Biosci.Rep., 33, 2013
4P35
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BU of 4p35 by Molmil
Crystal structure of DJ-1 with Zinc(II) bound (crystal I)
分子名称: CHLORIDE ION, GLYCEROL, Protein DJ-1, ...
著者Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
登録日2014-03-05
公開日2014-04-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014

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