3VGN
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![BU of 3vgn by Molmil](/molmil-images/mine/3vgn) | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 3-fluoro-4-nitrophenol | Descriptor: | 3-fluoro-4-nitrophenol, Steroid Delta-isomerase | Authors: | Caaveiro, J.M.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P.A. | Deposit date: | 2011-08-16 | Release date: | 2012-08-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Quantitative dissection of hydrogen bond-mediated proton transfer in the ketosteroid isomerase active site Proc.Natl.Acad.Sci.USA, 110, 2013
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3VSY
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![BU of 3vsy by Molmil](/molmil-images/mine/3vsy) | |
3W9P
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![BU of 3w9p by Molmil](/molmil-images/mine/3w9p) | |
4TSO
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![BU of 4tso by Molmil](/molmil-images/mine/4tso) | Crystal structure of FraC with DHPC bound (crystal form I) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSP
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![BU of 4tsp by Molmil](/molmil-images/mine/4tsp) | Crystal structure of FraC with DHPC bound (crystal form II) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Fragaceatoxin C, PHOSPHATE ION, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSL
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![BU of 4tsl by Molmil](/molmil-images/mine/4tsl) | Crystal structure of FraC with POC bound (crystal form I) | Descriptor: | ACETATE ION, FORMIC ACID, Fragaceatoxin C, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSY
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![BU of 4tsy by Molmil](/molmil-images/mine/4tsy) | Crystal structure of FraC with lipids | Descriptor: | 2-[[(E,2S,3R)-2-(hexanoylamino)-3-oxidanyl-dec-4-enoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, Fragaceatoxin C, HEPTANE-1,2,3-TRIOL, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSN
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![BU of 4tsn by Molmil](/molmil-images/mine/4tsn) | Crystal structure of FraC with POC bound (crystal form II) | Descriptor: | ACETATE ION, Fragaceatoxin C, GLYCEROL, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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4TSQ
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![BU of 4tsq by Molmil](/molmil-images/mine/4tsq) | Crystal structure of FraC with DHPC bound (crystal form III) | Descriptor: | 1,2-dihexanoyl-sn-glycero-3-phosphocholine, CHLORIDE ION, Fragaceatoxin C, ... | Authors: | Caaveiro, J.M.M, Tanaka, K, Tsumoto, K. | Deposit date: | 2014-06-19 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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2INX
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![BU of 2inx by Molmil](/molmil-images/mine/2inx) | Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound 2,6-difluorophenol | Descriptor: | 2,6-DIFLUOROPHENOL, Steroid delta-isomerase | Authors: | Martinez Caaveiro, J.M, Pybus, B, Ringe, D, Petsko, G.A, Sigala, P, Kraut, D, Herschlag, D. | Deposit date: | 2006-10-09 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole. J.Am.Chem.Soc., 130, 2008
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4WY7
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![BU of 4wy7 by Molmil](/molmil-images/mine/4wy7) | Crystal structure of recombinant 4E10 expressed in Escherichia coli with epitope bound | Descriptor: | Envelope glycoprotein gp160, Fab 4E10 Heavy chain, Fab 4E10Light chain, ... | Authors: | Rujas, E, Morante, K, Tsumoto, K, Nieva, J.L, Caaveiro, J.M.M. | Deposit date: | 2014-11-16 | Release date: | 2015-03-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
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4YRD
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![BU of 4yrd by Molmil](/molmil-images/mine/4yrd) | Crystal structure of CapF with inhibitor 3-isopropenyl-tropolone | Descriptor: | 2-hydroxy-3-(prop-1-en-2-yl)cyclohepta-2,4,6-trien-1-one, Capsular polysaccharide synthesis enzyme Cap5F, ZINC ION | Authors: | Nakano, K, Chigira, T, Miyafusa, T, Nagatoishi, S, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2015-03-15 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery and characterization of natural tropolones as inhibitors of the antibacterial target CapF from Staphylococcus aureus. Sci Rep, 5, 2015
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5Y25
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![BU of 5y25 by Molmil](/molmil-images/mine/5y25) | EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 | Descriptor: | (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 | Authors: | Shiroishi, M, Abe, Y, Caaveiro, J.M.M, Sakamoto, S, Morimoto, S, Fuchida, H, Shindo, N, Ojida, A. | Deposit date: | 2017-07-24 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Selective and reversible modification of kinase cysteines with chlorofluoroacetamides. Nat.Chem.Biol., 15, 2019
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4G5H
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![BU of 4g5h by Molmil](/molmil-images/mine/4g5h) | Crystal structure of capsular polysaccharide synthesizing enzyme CapE from Staphylococcus aureus in complex with by-product | Descriptor: | Capsular polysaccharide synthesis enzyme Cap8E, FORMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Miyafusa, T, Caaveiro, J.M.M, Tanaka, Y, Tsumoto, K. | Deposit date: | 2012-07-18 | Release date: | 2013-08-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Dynamic elements govern the catalytic activity of CapE, a capsular polysaccharide-synthesizing enzyme from Staphylococcus aureus. Febs Lett., 587, 2013
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3VWI
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![BU of 3vwi by Molmil](/molmil-images/mine/3vwi) | High resolution crystal structure of FraC in the monomeric form | Descriptor: | AMMONIUM ION, CHLORIDE ION, Fragaceatoxin C, ... | Authors: | Tanaka, K, Morante, K, Caaveiro, J.M.M, Gonzalez-Manas, J.M, Tsumoto, K. | Deposit date: | 2012-08-23 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for self-assembly of a cytolytic pore lined by protein and lipid Nat Commun, 6, 2015
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3ST7
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![BU of 3st7 by Molmil](/molmil-images/mine/3st7) | Crystal Structure of capsular polysaccharide assembling protein CapF from staphylococcus aureus | Descriptor: | Capsular polysaccharide synthesis enzyme Cap5F, GLYCEROL, ZINC ION | Authors: | Miyafusa, T, Tanaka, Y, Kuroda, M, Yao, M, Watanabe, M, Ohta, T, Tanaka, I, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2011-07-09 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of the enzyme CapF of Staphylococcus aureus reveals a unique architecture composed of two functional domains. Biochem.J., 443, 2012
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3QUG
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![BU of 3qug by Molmil](/molmil-images/mine/3qug) | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin | Descriptor: | GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ... | Authors: | Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2011-02-24 | Release date: | 2011-03-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus. Biochemistry, 50, 2011
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3QUH
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3VTM
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![BU of 3vtm by Molmil](/molmil-images/mine/3vtm) | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin | Descriptor: | GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING INDIUM | Authors: | Vu, N.T, Caaveiro, J.M.M, Moriwaki, Y, Tsumoto, K. | Deposit date: | 2012-05-31 | Release date: | 2013-05-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Selective binding of antimicrobial porphyrins to the heme-receptor IsdH-NEAT3 of Staphylococcus aureus Protein Sci., 22, 2013
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3VHR
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![BU of 3vhr by Molmil](/molmil-images/mine/3vhr) | Crystal Structure of capsular polysaccharide assembling protein CapF from Staphylococcus aureus in space group C2221 | Descriptor: | Capsular polysaccharide synthesis enzyme Cap5F, FORMIC ACID, ZINC ION | Authors: | Miyafusa, T, Yoshikazu, T, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2011-09-01 | Release date: | 2012-02-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the enzyme CapF of Staphylococcus aureus reveals a unique architecture composed of two functional domains. Biochem.J., 443, 2012
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3VUA
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![BU of 3vua by Molmil](/molmil-images/mine/3vua) | Apo IsdH-NEAT3 in space group P3121 at a resolution of 1.85 A | Descriptor: | ACETATE ION, GLYCEROL, Iron-regulated surface determinant protein H, ... | Authors: | Vu, N.T, Caaveiro, J.M.M, Moriwaki, Y, Tsumoto, K. | Deposit date: | 2012-06-26 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Indium-porphyrin To be Published
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3VVB
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![BU of 3vvb by Molmil](/molmil-images/mine/3vvb) | Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in apo form | Descriptor: | CapE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K. | Deposit date: | 2012-07-18 | Release date: | 2013-06-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus. Biosci.Rep., 33, 2013
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3VVC
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![BU of 3vvc by Molmil](/molmil-images/mine/3vvc) | Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE , K126E, in apo form | Descriptor: | Capsular polysaccharide synthesis enzyme Cap8E, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION | Authors: | Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K. | Deposit date: | 2012-07-18 | Release date: | 2013-06-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus. Biosci.Rep., 33, 2013
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3W1V
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![BU of 3w1v by Molmil](/molmil-images/mine/3w1v) | Crystal Structure of Capsular Polysaccharide Synthesizing Enzyme CapE from Staphylococcus aureus in complex with inihibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capsular polysaccharide synthesis enzyme Cap8E, SODIUM ION, ... | Authors: | Miyafusa, T, Caaveiro, J.M, Tanaka, Y, Tsumoto, K. | Deposit date: | 2012-11-21 | Release date: | 2013-06-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the capsular polysaccharide synthesizing protein CapE of Staphylococcus aureus. Biosci.Rep., 33, 2013
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4P35
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![BU of 4p35 by Molmil](/molmil-images/mine/4p35) | Crystal structure of DJ-1 with Zinc(II) bound (crystal I) | Descriptor: | CHLORIDE ION, GLYCEROL, Protein DJ-1, ... | Authors: | Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K. | Deposit date: | 2014-03-05 | Release date: | 2014-04-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1. Biochemistry, 53, 2014
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