3A3W
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![BU of 3a3w by Molmil](/molmil-images/mine/3a3w) | Structure of OpdA mutant (G60A/A80V/S92A/R118Q/K185R/Q206P/D208G/I260T/G273S) with diethyl 4-methoxyphenyl phosphate bound in the active site | Descriptor: | COBALT (II) ION, DIETHYL 4-METHOXYPHENYL PHOSPHATE, Phosphotriesterase | Authors: | Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K. | Deposit date: | 2009-06-23 | Release date: | 2010-01-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase Proc.Natl.Acad.Sci.USA, 2009
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2ZOA
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![BU of 2zoa by Molmil](/molmil-images/mine/2zoa) | Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) COLLECTED AT 1.280 ANGSTROM | Descriptor: | FE (II) ION, MALONATE ION, Phosphohydrolase | Authors: | Ollis, D.L, Jackson, C.J, Carr, P.D. | Deposit date: | 2008-05-07 | Release date: | 2008-10-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Malonate-bound structure of the glycerophosphodiesterase from Enterobacter aerogenes (GpdQ) and characterization of the native Fe2+ metal-ion preference. Acta Crystallogr.,Sect.F, 64, 2008
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3A60
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![BU of 3a60 by Molmil](/molmil-images/mine/3a60) | Crystal structure of unphosphorylated p70S6K1 (Form I) | Descriptor: | Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-17 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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3A4J
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![BU of 3a4j by Molmil](/molmil-images/mine/3a4j) | arPTE (K185R/D208G/N265D/T274N) | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Phosphotriesterase | Authors: | Foo, J.L, Jackson, C.J, Carr, P.D, Ollis, D.L. | Deposit date: | 2009-07-07 | Release date: | 2010-01-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase Proc.Natl.Acad.Sci.USA, 2009
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3A61
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![BU of 3a61 by Molmil](/molmil-images/mine/3a61) | Crystal structure of unphosphorylated p70S6K1 (Form II) | Descriptor: | Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-18 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.43 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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3A62
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![BU of 3a62 by Molmil](/molmil-images/mine/3a62) | Crystal structure of phosphorylated p70S6K1 | Descriptor: | MANGANESE (II) ION, Ribosomal protein S6 kinase beta-1, STAUROSPORINE | Authors: | Sunami, T, Byrne, N, Diehl, R.E, Funabashi, K, Hall, D.L, Ikuta, M, Patel, S.B, Shipman, J.M, Smith, R.F, Takahashi, I, Zugay-Murphy, J, Iwasawa, Y, Lumb, K.J, Munshi, S.K, Sharma, S. | Deposit date: | 2009-08-18 | Release date: | 2009-10-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of human p70 ribosomal S6 kinase-1 regulation by activation loop phosphorylation. J.Biol.Chem., 285, 2010
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3A3X
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![BU of 3a3x by Molmil](/molmil-images/mine/3a3x) | Structure of OpdA mutant (G60A/A80V/R118Q/K185R/Q206P/D208G/I260T/G273S) | Descriptor: | COBALT (II) ION, Phosphotriesterase | Authors: | Ollis, D.L, Tawfik, D.S, Schenk, G, Jackson, C.J, Foo, J.L, Tokuriki, N, Afriat, L, Carr, P.D, Kim, H.K. | Deposit date: | 2009-06-23 | Release date: | 2010-01-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conformational sampling, catalysis, and evolution of the bacterial phosphotriesterase Proc.Natl.Acad.Sci.USA, 2009
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3C86
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![BU of 3c86 by Molmil](/molmil-images/mine/3c86) | OpdA from agrobacterium radiobacter with bound product diethyl thiophosphate from crystal soaking with tetraethyl dithiopyrophosphate- 1.8 A | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ... | Authors: | Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G. | Deposit date: | 2008-02-10 | Release date: | 2008-02-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase J.Mol.Biol., 375, 2008
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6EIT
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![BU of 6eit by Molmil](/molmil-images/mine/6eit) | |
6ESB
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![BU of 6esb by Molmil](/molmil-images/mine/6esb) | BK polyomavirus + 20 mM GT1b oligosaccharide | Descriptor: | CALCIUM ION, Capsid protein VP1, Minor capsid protein VP2, ... | Authors: | Hurdiss, D.L, Ranson, N.A. | Deposit date: | 2017-10-20 | Release date: | 2018-05-02 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The Structure of an Infectious Human Polyomavirus and Its Interactions with Cellular Receptors. Structure, 26, 2018
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6EDG
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![BU of 6edg by Molmil](/molmil-images/mine/6edg) | Pseudomonas exotoxin A domain III T18H477L | Descriptor: | Exotoxin, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | Authors: | Moss, D.L, Park, H.W, Mettu, R.R, Landry, S.J. | Deposit date: | 2018-08-09 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Deimmunizing substitutions in Pseudomonasexotoxin domain III perturb antigen processing without eliminating T-cell epitopes. J.Biol.Chem., 294, 2019
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2BPN
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![BU of 2bpn by Molmil](/molmil-images/mine/2bpn) | SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS (HILDENBOROUGH) FERRICYTOCHROME C3, NMR, 20 STRUCTURES | Descriptor: | CYTOCHROME C3, HEME C | Authors: | Messias, A.C, Aguiar, A.P, Brennan, L, Xavier, A.V, Turner, D.L. | Deposit date: | 2005-04-21 | Release date: | 2006-03-15 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Solution Structures of Tetrahaem Ferricytochrome C(3) from Desulfovibrio Vulgaris (Hildenborough) and its K45Q Mutant: The Molecular Basis of Cooperativity. Biochim.Biophys.Acta, 1757, 2006
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6EZM
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![BU of 6ezm by Molmil](/molmil-images/mine/6ezm) | Imidazoleglycerol-phosphate dehydratase from Saccharomyces cerevisiae | Descriptor: | Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid | Authors: | Rawson, S, Bisson, C, Hurdiss, D.L, Muench, S.P. | Deposit date: | 2017-11-15 | Release date: | 2018-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Elucidating the structural basis for differing enzyme inhibitor potency by cryo-EM. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6EZJ
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![BU of 6ezj by Molmil](/molmil-images/mine/6ezj) | Imidazoleglycerol-phosphate dehydratase | Descriptor: | Imidazoleglycerol-phosphate dehydratase 2, chloroplastic, MANGANESE (II) ION, ... | Authors: | Rawson, S, Bisson, C, Hurdiss, D.L, Muench, S.P. | Deposit date: | 2017-11-15 | Release date: | 2018-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Elucidating the structural basis for differing enzyme inhibitor potency by cryo-EM. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6FP4
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![BU of 6fp4 by Molmil](/molmil-images/mine/6fp4) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,8-Naphthyridine-2-carboxylic acid | Descriptor: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid, 1,8-naphthyridine-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | Deposit date: | 2018-02-09 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry. ACS Chem. Biol., 13, 2018
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2DXN
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![BU of 2dxn by Molmil](/molmil-images/mine/2dxn) | |
6FMU
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![BU of 6fmu by Molmil](/molmil-images/mine/6fmu) | Thioredoxin glutathione reductase from Schistosome mansoni in complex with 2-[4-(4-amino-butyl)-piperazin-1-yl]-ethanol | Descriptor: | 2-[4-(4-azanylbutyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ... | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | Deposit date: | 2018-02-02 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry. ACS Chem. Biol., 13, 2018
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6FTC
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![BU of 6ftc by Molmil](/molmil-images/mine/6ftc) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | Deposit date: | 2018-02-21 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry. ACS Chem. Biol., 13, 2018
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6FMZ
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![BU of 6fmz by Molmil](/molmil-images/mine/6fmz) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1,4-Bis(2-hydroxyethyl)piperazine | Descriptor: | 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | Deposit date: | 2018-02-02 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry. ACS Chem. Biol., 13, 2018
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2DXL
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![BU of 2dxl by Molmil](/molmil-images/mine/2dxl) | |
2EIA
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![BU of 2eia by Molmil](/molmil-images/mine/2eia) | |
1MCH
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![BU of 1mch by Molmil](/molmil-images/mine/1mch) | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | Descriptor: | IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-B-ALA-B-ALA-OH | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | Deposit date: | 1993-02-25 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
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1MCQ
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![BU of 1mcq by Molmil](/molmil-images/mine/1mcq) | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | Descriptor: | IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-HIS-D-PRO-NH2 | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | Deposit date: | 1993-02-25 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
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1MEJ
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![BU of 1mej by Molmil](/molmil-images/mine/1mej) | Human Glycinamide Ribonucleotide Transformylase domain at pH 8.5 | Descriptor: | GLYCEROL, PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase | Authors: | Zhang, Y, Desharnais, J, Greasley, S.E, Beardsley, G.P, Boger, D.L, Wilson, I.A. | Deposit date: | 2002-08-08 | Release date: | 2002-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of human GAR Tfase of low and high pH and with substrate beta-GAR Biochemistry, 41, 2002
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1MCB
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![BU of 1mcb by Molmil](/molmil-images/mine/1mcb) | PRINCIPLES AND PITFALLS IN DESIGNING SITE DIRECTED PEPTIDE LIGANDS | Descriptor: | IMMUNOGLOBULIN LAMBDA DIMER MCG (LIGHT CHAIN), PEPTIDE N-ACETYL-L-GLN-D-PHE-L-HIS-D-PRO-OH | Authors: | Edmundson, A.B, Harris, D.L, Fan, Z.-C, Guddat, L.W. | Deposit date: | 1993-02-25 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Principles and pitfalls in designing site-directed peptide ligands. Proteins, 16, 1993
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