1XK9
 
 | | Pseudomanas exotoxin A in complex with the PJ34 inhibitor | | Descriptor: | Exotoxin A, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | | Authors: | Yates, S.P, Taylor, P.J, Joergensen, R, Ferrraris, D, Zhang, J, Andersen, G.R, Merrill, A.R. | | Deposit date: | 2004-09-28 | | Release date: | 2005-05-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-function analysis of water-soluble inhibitors of the catalytic domain of exotoxin A from Pseudomonas aeruginosa
BIOCHEM.J., 385, 2005
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1X9M
 | | T7 DNA polymerase in complex with an N-2-acetylaminofluorene-adducted DNA | | Descriptor: | 5'-D(*CP*CP*CP*(8FG)P*AP*TP*CP*AP*CP*AP*CP*TP*AP*CP*CP*AP*AP*TP*CP*AP*CP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*GP*TP*GP*AP*TP*TP*GP*GP*TP*AP*GP*TP*GP*TP*GP*AP*(2DT))-3', DNA polymerase, ... | | Authors: | Dutta, S, Li, Y, Johnson, D, Dzantiev, L, Richardson, C.C, Romano, L.J, Ellenberger, T. | | Deposit date: | 2004-08-23 | | Release date: | 2004-10-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of 2-acetylaminofluorene and 2-aminofluorene in complex with T7 DNA polymerase reveal mechanisms of mutagenesis.
Proc.Natl.Acad.Sci.USA, 101, 2004
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1XM4
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Piclamilast | | Descriptor: | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-10-01 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
STRUCTURE, 12, 2004
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1XMJ
 | | Crystal structure of human deltaF508 human NBD1 domain with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Lewis, H.A, Zhao, X, Wang, C, Sauder, J.M, Rooney, I, Noland, B.W, Lorimer, D, Kearins, M.C, Conners, K, Condon, B, Maloney, P.C, Guggino, W.B, Hunt, J.F, Emtage, S, Structural GenomiX | | Deposit date: | 2004-10-02 | | Release date: | 2004-11-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Impact of the delta-F508 Mutation in First Nucleotide-binding Domain of Human Cystic Fibrosis Transmembrane Conductance Regulator on Domain Folding and Structure
J.Biol.Chem., 280, 2005
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1XEV
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1XHA
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | N-{4-[(4-{3-[(2R)-3,3-DIMETHYLPIPERIDIN-2-YL]-2-FLUORO-6-HYDROXYBENZOYL}BENZOYL)AMINO]AZEPAN-3-YL}ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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1XFQ
 | | structure of the blue shifted intermediate state of the photoactive yellow protein lacking the N-terminal part | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Bernard, C, Houben, K, Derix, N.M, Marks, D, van der Horst, M.A, Hellingwerf, K.J, Boelens, R, Kaptein, R, van Nuland, N.A. | | Deposit date: | 2004-09-15 | | Release date: | 2005-08-16 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | The solution structure of a transient photoreceptor intermediate: delta25 photoactive yellow protein
STRUCTURE, 13, 2005
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1XGJ
 | | AmpC beta-lactamase in complex with 3-(4-carboxy-2-hydroxy-phenylsulfamoyl)-thiophene-2-carboxylic acid | | Descriptor: | 3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Tondi, D, Morandi, F, Bonnet, R, Costi, M.P, Shoichet, B.K. | | Deposit date: | 2004-09-17 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture.
J.Am.Chem.Soc., 127, 2005
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1XH8
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | N-[4-({4-[5-(4,4-DIMETHYLPIPERIDIN-1-YL)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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4DDZ
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis | | Descriptor: | GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL | | Authors: | Albesa-Jove, D, Urresti, S, Gest, P.M, van der Woerd, M, Jackson, M, Guerin, M.E. | | Deposit date: | 2012-01-19 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
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1XK8
 | | Divalent cation tolerant protein CUTA from Homo sapiens O60888 | | Descriptor: | Divalent cation tolerant protein CUTA, SODIUM ION | | Authors: | Tempel, W, Chen, L, Liu, Z.-J, Lee, D, Shah, A, Dailey, T.A, Mayer, M.R, Arendall III, W.B, Rose, J.P, Dailey, H.A, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-27 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Divalent cation tolerant protein CUTA from Homo sapiens O60888
To be published
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1XKM
 | | NMR structure of antimicrobial peptide distinctin in water | | Descriptor: | Distinctin chain A, Distinctin chain B | | Authors: | Amodeo, P, Raimondo, D, Andreotti, G, Motta, A, Scaloni, A. | | Deposit date: | 2004-09-29 | | Release date: | 2005-04-05 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | A folding-dependent mechanism of antimicrobial peptide resistance to degradation unveiled by solution structure of distinctin.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1X81
 | | Farnesyl transferase structure of Jansen compound | | Descriptor: | 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, Protein farnesyltransferase beta subunit, Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, ... | | Authors: | Li, Q, Claiborne, A, Li, T, Hasvold, L, Stoll, V.S, Muchmore, S, Jakob, C.G, Gu, W, Cohen, J, Hutchins, C, Frost, D, Rosenberg, S.H, Sham, H.L. | | Deposit date: | 2004-08-16 | | Release date: | 2004-12-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
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1XLX
 | | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With Cilomilast | | Descriptor: | CILOMILAST, MAGNESIUM ION, ZINC ION, ... | | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | | Deposit date: | 2004-09-30 | | Release date: | 2004-12-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases.
Structure, 12, 2004
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1X9W
 | | T7 DNA polymerase in complex with a primer/template DNA containing a disordered N-2 aminofluorene on the template, crystallized with dideoxy-ATP as the incoming nucleotide. | | Descriptor: | 5'-D(*CP*CP*CP*(AFG)*AP*TP*CP*AP*CP*AP*CP*TP*AP*CP*CP*AP*AP*TP*CP*AP*CP*TP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*AP*GP*TP*GP*AP*TP*T*GP*GP*T*AP*GP*TP*GP*TP*GP*AP*(2DT))-3', DNA polymerase, ... | | Authors: | Dutta, S, Li, Y, Johnson, D, Dzantiev, L, Richardson, C.C, Romano, L.J, Ellenberger, T. | | Deposit date: | 2004-08-24 | | Release date: | 2004-10-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structures of 2-acetylaminofluorene and 2-aminofluorene in complex with T7 DNA polymerase reveal mechanisms of mutagenesis.
Proc.Natl.Acad.Sci.Usa, 101, 2004
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1XAP
 | | Structure of the ligand binding domain of the Retinoic Acid Receptor beta | | Descriptor: | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID, Retinoic acid receptor beta | | Authors: | Germain, P, Kammerer, S, Peluso-Iltis, C, Tortolani, D, Zusi, F.C, Starrett, J, Lapointe, P, Daris, J.P, Marinier, A, De Lera, A.R, Rochel, N, Gronemeyer, H. | | Deposit date: | 2004-08-26 | | Release date: | 2004-11-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Rational design of RAR-selective ligands revealed by RARbeta crystal structure
Embo Rep., 5, 2004
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1XB3
 | | The D62C/K74C double mutant of Pseudomonas Aeruginosa Azurin | | Descriptor: | Azurin, COPPER (II) ION | | Authors: | Tigerstrom, A, Schwarz, F, Karlsson, G, Okvist, M, Alvarez-Rua, C, Maeder, D, Robb, F.T, Sjolin, L. | | Deposit date: | 2004-08-27 | | Release date: | 2004-10-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Effects of a novel disulfide bond and engineered electrostatic interactions on the thermostability of azurin
Biochemistry, 43, 2004
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1XE1
 | | Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001 | | Descriptor: | SULFATE ION, hypothetical protein PF0907 | | Authors: | Chang, J.C, Zhao, M, Zhou, W, Liu, Z.J, Tempel, W, Arendall III, W.B, Chen, L, Lee, D, Habel, J.E, Rose, J.P, Richardson, J.S, Richardson, D.C, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-08 | | Release date: | 2004-09-21 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001
To be published
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4DE7
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mg2+ and uridine-diphosphate (UDP) | | Descriptor: | GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL, URIDINE-5'-DIPHOSPHATE | | Authors: | Albesa-Jove, D, Urresti, S, van der Woerd, M, Guerin, M.E. | | Deposit date: | 2012-01-20 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
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1XEG
 | | Crystal structure of human carbonic anhydrase II complexed with an acetate ion | | Descriptor: | ACETATE ION, Carbonic anhydrase II, ZINC ION | | Authors: | Mazumdar, P.A, Kumaran, D, Das, A.K, Swaminathan, S. | | Deposit date: | 2004-09-10 | | Release date: | 2005-09-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A novel acetate-bound complex of human carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 64, 2008
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1XFH
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1XG3
 | | Crystal structure of the C123S 2-methylisocitrate lyase mutant from Escherichia coli in complex with the reaction product, Mg(II)-pyruvate and succinate | | Descriptor: | MAGNESIUM ION, PYRUVIC ACID, Probable methylisocitrate lyase, ... | | Authors: | Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-09-16 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution
Biochemistry, 44, 2005
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1XG4
 | | Crystal Structure of the C123S 2-Methylisocitrate Lyase Mutant from Escherichia coli in complex with the inhibitor isocitrate | | Descriptor: | ISOCITRIC ACID, MAGNESIUM ION, Probable methylisocitrate lyase | | Authors: | Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-09-16 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution
Biochemistry, 44, 2005
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1XH6
 | | Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants | | Descriptor: | N-(4-{[4-(2-HYDROXY-5-PIPERIDIN-1-YLBENZOYL)BENZOYL]AMINO}AZEPAN-3-YL)ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... | | Authors: | Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. | | Deposit date: | 2004-09-17 | | Release date: | 2005-09-17 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants
J.Med.Chem., 48, 2005
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1XHC
 | | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase /nitrite reductase | | Authors: | Horanyi, P, Tempel, W, Weinberg, M.V, Liu, Z.-J, Shah, A, Chen, L, Lee, D, Sugar, F.J, Brereton, P.S, Izumi, M, Poole II, F.L, Shah, C, Jenney Jr, F.E, Arendall III, W.B, Rose, J.P, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-09-17 | | Release date: | 2004-11-23 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001
To be published
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