4U80
 
 | | MEK 1 kinase bound to G799 | | Descriptor: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Ultsch, M.H, Robarge, K.D, Weismann, C. | | Deposit date: | 2014-07-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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4U8A
 | | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1503 | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, N,N'-bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]biphenyl-4,4'-dicarboxamide | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2014-08-01 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting.
J.Med.Chem., 58, 2015
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4U8D
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4U9C
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4U9P
 | | Structure of the methanofuran/methanopterin biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii | | Descriptor: | GLYCEROL, UPF0264 protein MJ1099 | | Authors: | Bobik, T.A, Morales, E, Shin, A, Cascio, D, Sawaya, M.R, Arbing, M, Rasche, M.E. | | Deposit date: | 2014-08-06 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of the methanofuran/methanopterin-biosynthetic enzyme MJ1099 from Methanocaldococcus jannaschii.
Acta Crystallogr.,Sect.F, 70, 2014
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4U9Z
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4UAA
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8S5F
 | | Crystal structure of the HExxH domain of ChlBHExxH a novel alpha-ketoglutarate dependent oxygenase | | Descriptor: | ChlH from Chlorogloeopsis sp., PHOSPHATE ION | | Authors: | de la Mora, E, Amara, P, Usclat, A, Morishita, Y, Morinaka, B, Nicolet, Y. | | Deposit date: | 2024-02-23 | | Release date: | 2024-10-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.797 Å) | | Cite: | Fused radical SAM and alpha KG-HExxH domain proteins contain a distinct structural fold and catalyse cyclophane formation and beta-hydroxylation.
Nat.Chem., 16, 2024
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4U8N
 | | Structure of Aspergillus fumigatus UDP-Galactopyranose mutase mutant F66A complexed with UDP | | Descriptor: | 1,2-ETHANEDIOL, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, ... | | Authors: | Qureshi, I.A, Chaudhary, R, Tanner, J.J. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Contributions of Unique Active Site Residues of Eukaryotic UDP-Galactopyranose Mutases to Substrate Recognition and Active Site Dynamics.
Biochemistry, 53, 2014
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4U92
 | | Crystal structure of a DNA/Ba2+ G-quadruplex containing a water-mediated C-tetrad | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*CP*AP*KP*GP*CP*GP*TP*GP*G)-3'), MAGNESIUM ION | | Authors: | Paukstelis, P.J, Zhang, D, Huang, T, Lukeman, P. | | Deposit date: | 2014-08-05 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of a DNA/Ba2+ G-quadruplex containing a water-mediated C-tetrad.
Nucleic Acids Res., 42, 2014
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4TVQ
 | | CCM3 in complex with CCM2 LD-like motif | | Descriptor: | Cerebral cavernous malformations 2 protein, Cerebral cavernous malformations 3 protein | | Authors: | Li, X, Zhang, R, Fisher, O.S, Boggon, T.J. | | Deposit date: | 2014-06-27 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | CCM2-CCM3 interaction stabilizes their protein expression and permits endothelial network formation.
J.Cell Biol., 208, 2015
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4UAP
 | | X-ray structure of GH31 CBM32-2 bound to GalNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Grondin, J.M, Abe, K, Boraston, A.B, Smith, S.P. | | Deposit date: | 2014-08-11 | | Release date: | 2015-10-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
PLoS ONE, 12, 2017
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4UAZ
 | | DNA polymerase beta reactant complex with a templating adenine and incoming 8-oxodGTP, 20 s | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*(8OG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | | Deposit date: | 2014-08-11 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
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4TW1
 | | Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH | | Descriptor: | Possible leukocidin subunit | | Authors: | Logan, D.T, Hakansson, M, Saline, M, Kimbung, R, Badarau, A, Rouha, H, Nagy, E. | | Deposit date: | 2014-06-29 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH.
J.Biol.Chem., 290, 2015
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4TWS
 | | Gadolinium Derivative of Tetragonal Hen Egg-White Lysozyme at 1.45 A Resolution | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Holton, J.M, Classen, S, Frankel, K.A, Tainer, J.A. | | Deposit date: | 2014-07-01 | | Release date: | 2014-08-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The R-factor gap in macromolecular crystallography: an untapped potential for insights on accurate structures.
Febs J., 281, 2014
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4TWY
 | | Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor | | Descriptor: | (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | | Deposit date: | 2014-07-02 | | Release date: | 2015-02-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors
Bioorg.Med.Chem., 23, 2015
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4UBD
 | | Crystal structure of a neutralizing human monoclonal antibody with 1968 H3 HA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | Shore, D.A, Yang, H, Cho, M, Donis, R.O, Stevens, J. | | Deposit date: | 2014-08-12 | | Release date: | 2015-06-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus.
Nat Commun, 6, 2015
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4UEI
 | | Solution structure of the sterol carrier protein domain 2 of Helicoverpa armigera | | Descriptor: | STEROL CARRIER PROTEIN 2/3-OXOACYL-COA THIOLASE | | Authors: | Liu, X, Ma, H, Yan, X, Hong, H, Peng, J, Peng, R. | | Deposit date: | 2014-12-18 | | Release date: | 2015-12-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR Structure and Function of Helicoverpa Armigera Sterol Carrier Protein-2, an Important Insecticidal Target from the Cotton Bollworm.
Sci.Rep., 5, 2015
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4TX4
 | | Crystal Structure of a Single-Domain Cysteine Protease Inhibitor from Cowpea (Vigna unguiculata) | | Descriptor: | Cysteine proteinase inhibitor, SULFATE ION | | Authors: | Pereira, H.M, Valadares, N, Monteiro-Junior, J.E, Carvalho, C.P.S, Grangeiro, T.B. | | Deposit date: | 2014-07-02 | | Release date: | 2015-10-14 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Expression in Escherichia coli of cysteine protease inhibitors from cowpea (Vigna unguiculata): The crystal structure of a single-domain cystatin gives insights on its thermal and pH stability.
Int. J. Biol. Macromol., 102, 2017
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4TX9
 | | Crystal structure of HisAp from Streptomyces sviceus with degraded ProFAR | | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Phosphoribosyl isomerase A, SULFATE ION | | Authors: | Michalska, K, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-07-02 | | Release date: | 2014-08-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
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4TXE
 | | ScCTS1 in complex with compound 5 | | Descriptor: | (2S)-1-(2,3-dihydro-1H-inden-2-ylamino)-3-(3,4-dimethylphenoxy)propan-2-ol, Endochitinase | | Authors: | Schuettelkopf, A.W, van Aalten, D.M.F. | | Deposit date: | 2014-07-03 | | Release date: | 2014-08-06 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
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4UF9
 | | Electron cryo-microscopy structure of PB1-p62 type T filaments | | Descriptor: | SEQUESTOSOME-1 | | Authors: | Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C. | | Deposit date: | 2015-03-15 | | Release date: | 2015-05-13 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (10.3 Å) | | Cite: | The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold.
Cell Rep., 11, 2015
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4TXP
 | | Crystal structure of LIP5 N-terminal domain | | Descriptor: | Vacuolar protein sorting-associated protein VTA1 homolog | | Authors: | Vild, C.J, Xu, Z. | | Deposit date: | 2014-07-04 | | Release date: | 2015-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | A Novel Mechanism of Regulating the ATPase VPS4 by Its Cofactor LIP5 and the Endosomal Sorting Complex Required for Transport (ESCRT)-III Protein CHMP5.
J.Biol.Chem., 290, 2015
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4TXS
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | (4-hydroxyphenyl)acetonitrile, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-07 | | Release date: | 2015-05-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A ligand-observed mass spectrometry approach integrated into the fragment based lead discovery pipeline
Sci Rep, 5, 2015
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4TYG
 | | Structural analysis of the human Fibroblast Growth Factor Receptor 4 Kinase | | Descriptor: | ACETATE ION, Fibroblast growth factor receptor 4 | | Authors: | Lesca, E, Lammens, A, Huber, R, Augustin, M. | | Deposit date: | 2014-07-08 | | Release date: | 2014-09-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analysis of the human fibroblast growth factor receptor 4 kinase.
J.Mol.Biol., 426, 2014
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