3U69
 
 | | Unliganded wild-type human thrombin | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Figueiredo, A.C, Clement, C.C, Philipp, M, Barbosa Pereira, P.J. | | Deposit date: | 2011-10-12 | | Release date: | 2012-04-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors.
Plos One, 7, 2012
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3U6H
 | | Crystal structure of c-Met in complex with pyrazolone inhibitor 26 | | Descriptor: | Hepatocyte growth factor receptor, N-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}-1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide | | Authors: | Bellon, S.F, Whittington, D.A, Long, A.L. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives.
J.Med.Chem., 55, 2012
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3TSP
 | | Crystal structure of E. coli HypF | | Descriptor: | MAGNESIUM ION, Transcriptional regulatory protein, ZINC ION | | Authors: | Petkun, S, Shi, R, Li, Y, Cygler, M. | | Deposit date: | 2011-09-13 | | Release date: | 2011-12-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of Hydrogenase Maturation Protein HypF with Reaction Intermediates Shows Two Active Sites.
Structure, 19, 2011
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3U7G
 | | Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTAp) | | Descriptor: | Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ... | | Authors: | Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M. | | Deposit date: | 2011-10-13 | | Release date: | 2011-12-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
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3TTZ
 | | Crystal structure of a topoisomerase ATPase inhibitor | | Descriptor: | 2-[(3S,4R)-4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}-3-fluoropiperidin-1-yl]-1,3-thiazole-5-carboxylic acid, DNA gyrase subunit B, MAGNESIUM ION | | Authors: | Boriack-Sjodin, P.A, Read, J, Eakin, A.E, Sherer, B.A. | | Deposit date: | 2011-09-15 | | Release date: | 2011-11-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Pyrrolamide DNA gyrase inhibitors: Optimization of antibacterial activity and efficacy.
Bioorg.Med.Chem.Lett., 21, 2011
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3TU6
 | | The Structure of a Pseudoazurin From Sinorhizobium meliltoi | | Descriptor: | COPPER (II) ION, GLYCEROL, Pseudoazurin (Blue copper protein) | | Authors: | Laming, E.M, McGrath, A.P, Guss, J.M, Maher, M.J. | | Deposit date: | 2011-09-16 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The X-ray crystal structure of a pseudoazurin from Sinorhizobium meliloti.
J.Inorg.Biochem., 115, 2012
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3U8J
 | | Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3531 (1-(pyridin-3-yl)-1,4-diazepane) | | Descriptor: | 1-(pyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | | Authors: | Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T. | | Deposit date: | 2011-10-17 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed.
J.Biol.Chem., 287, 2012
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3U9D
 | | Crystal Structure of a chimera containing the N-terminal domain (residues 8-24) of drosophila Ciboulot and the C-terminal domain (residues 13-44) of bovine Thymosin-beta4, bound to G-actin-ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Renault, L, Husson, C, Carlier, M.F, Didry, D. | | Deposit date: | 2011-10-18 | | Release date: | 2012-01-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | How a single residue in individual beta-thymosin/WH2 domains controls their functions in actin assembly.
Embo J., 31, 2012
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3TVU
 | | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 3 | | Descriptor: | 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline, Acetyl-CoA carboxylase | | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | | Deposit date: | 2011-09-20 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
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3UA6
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3UAQ
 | | Crystal Structure of the N-lobe Domain of Lactoferrin Binding Protein B (LbpB) of Moraxella bovis | | Descriptor: | LbpB B-lobe | | Authors: | Arutyunova, E, Brooks, C.L, Beddeck, A, Mak, M.W, Schryvers, A.B, Lemieux, M.J. | | Deposit date: | 2011-10-21 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9318 Å) | | Cite: | Crystal structure of the N-lobe of lactoferrin binding protein B from Moraxella bovis(1).
Biochem.Cell Biol., 90, 2012
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3UBT
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3TZ3
 | | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 2 | | Descriptor: | 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase | | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | | Deposit date: | 2011-09-26 | | Release date: | 2011-10-19 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion.
J.Biol.Chem., 286, 2011
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3U1N
 | | Structure of the catalytic core of human SAMHD1 | | Descriptor: | PHOSPHATE ION, SAM domain and HD domain-containing protein 1, ZINC ION | | Authors: | Goldstone, D.C, Ennis-Adeniran, V, Walker, P.A, Haire, L.F, Webb, M, Taylor, I.A. | | Deposit date: | 2011-09-30 | | Release date: | 2011-11-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | HIV-1 restriction factor SAMHD1 is a deoxynucleoside triphosphate triphosphohydrolase
Nature, 480, 2011
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3TQS
 | | Structure of the dimethyladenosine transferase (ksgA) from Coxiella burnetii | | Descriptor: | Ribosomal RNA small subunit methyltransferase A | | Authors: | Rudolph, M, Cheung, J, Franklin, M.C, Cassidy, M, Gary, E, Burshteyn, F, Love, J. | | Deposit date: | 2011-09-09 | | Release date: | 2011-09-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
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3TYD
 | | Dihydropteroate Synthase in complex with PPi and DHP+ | | Descriptor: | 2-amino-6-methylidene-6,7-dihydropteridin-4(3H)-one, Dihydropteroate synthase, PYROPHOSPHATE 2-, ... | | Authors: | Yun, M.-K, White, S.W. | | Deposit date: | 2011-09-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
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3TZG
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3TT8
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3TZS
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3UAX
 | | Crystal structure of adenosine phosphorylase from Bacillus cereus complexed with inosine | | Descriptor: | GLYCEROL, INOSINE, Purine nucleoside phosphorylase deoD-type, ... | | Authors: | Dessanti, P, Zhang, Y, Allegrini, S, Tozzi, M.G, Sgarrella, F, Ealick, S.E. | | Deposit date: | 2011-10-22 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis of the substrate specificity of Bacillus cereus adenosine phosphorylase.
Acta Crystallogr.,Sect.D, 68, 2012
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3UB6
 | | Periplasmic portion of the Helicobacter pylori chemoreceptor TlpB with urea bound | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SULFATE ION, ... | | Authors: | Henderson, J.N, Sweeney, E.G, Goers, J, Wreden, C, Hicks, K.G, Parthasarathy, R, Guillemin, K.J, Remington, S.J. | | Deposit date: | 2011-10-23 | | Release date: | 2012-06-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structure and proposed mechanism for the pH-sensing Helicobacter pylori chemoreceptor TlpB.
Structure, 20, 2012
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3UBV
 | | Oxygen-bound hell's gate globin I by classical hanging drop | | Descriptor: | Hemoglobin-like flavoprotein, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Scudieri, D, Belmonte, L, Saito, J.A, Alam, M, Nicolini, C, Pechkova, E. | | Deposit date: | 2011-10-25 | | Release date: | 2012-03-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Oxygen-bound Hell's gate globin I by classical versus LB nanotemplate method.
J.Cell.Biochem., 8, 2012
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3U4S
 | | Histone Lysine demethylase JMJD2A in complex with T11C peptide substrate crosslinked to N-oxalyl-D-cysteine | | Descriptor: | HISTONE 3 TAIL ANALOG (T11C Peptide), Lysine-specific demethylase 4A, N-(carboxycarbonyl)-D-cysteine, ... | | Authors: | Ma, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2011-10-10 | | Release date: | 2012-02-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Linking of 2-Oxoglutarate and Substrate Binding Sites Enables Potent and Highly Selective Inhibition of JmjC Histone Demethylases.
Angew.Chem.Int.Ed.Engl., 51, 2012
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3U64
 | | The Crystal Structure of Tat-T (Tp0956) | | Descriptor: | Protein TP_0956, SULFATE ION | | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | | Deposit date: | 2011-10-12 | | Release date: | 2012-02-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural, Bioinformatic, and In Vivo Analyses of Two Treponema pallidum Lipoproteins Reveal a Unique TRAP Transporter.
J.Mol.Biol., 416, 2012
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3U7H
 | | Crystal structure of mPNKP catalytic fragment (D170A) bound to single-stranded DNA (TCCTTp) | | Descriptor: | Bifunctional polynucleotide phosphatase/kinase, DNA, GLYCEROL, ... | | Authors: | Coquelle, N, Havali, Z, Bernstein, N, Green, R, Glover, J.N.M. | | Deposit date: | 2011-10-13 | | Release date: | 2011-12-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for the phosphatase activity of polynucleotide kinase/phosphatase on single- and double-stranded DNA substrates.
Proc.Natl.Acad.Sci.USA, 108, 2011
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