4U94
 
 | | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway | | Descriptor: | MAGNESIUM ION, Maltokinase | | Authors: | Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S. | | Deposit date: | 2014-08-05 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.473 Å) | | Cite: | Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway.
Sci Rep, 5, 2015
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4U9C
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4U9Z
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4UAA
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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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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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4TYQ
 | | Crystal structure of an adenylate kinase mutant--AKm2 | | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CALCIUM ION, ... | | Authors: | Moon, S, Bae, E. | | Deposit date: | 2014-07-09 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of thermally stable adenylate kinase mutants designed by local structural entropy optimization and structure-guided mutagenesis
J KOREAN SOC APPL BIOL CHEM, 57, 2014
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4U67
 | | Crystal structure of the large ribosomal subunit (50S) of Deinococcus radiodurans containing a three residue insertion in L22 | | Descriptor: | 23s RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A. | | Deposit date: | 2014-07-28 | | Release date: | 2015-08-05 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.65 Å) | | Cite: | The Ribosomal Protein uL22 Modulates the Shape of the Protein Exit Tunnel.
Structure, 25, 2017
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4U9Y
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4UA6
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4UCU
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | Descriptor: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE | | Authors: | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | Deposit date: | 2014-12-04 | | Release date: | 2015-10-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UFU
 | | Crystal structure of human tankyrase 2 in complex with TA-12 | | Descriptor: | 8-methyl-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Haikarainen, T, Lehtio, L. | | Deposit date: | 2015-03-19 | | Release date: | 2016-04-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Activity Relationships of 2-Arylquinazolin-4-Ones as Highly Selective and Potent Inhibitors of the Tankyrases.
Eur.J.Med.Chem., 118, 2016
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4TVA
 | | Universal Pathway for Post-Transfer Editing Reactions: Insight from Crystal structure of TthPheRS with Puromycine | | Descriptor: | PHENYLALANINE, PUROMYCIN, Phenylalanine--tRNA ligase alpha subunit, ... | | Authors: | Safro, M, Klipcan, L, Tworowski, D, Peretz, M. | | Deposit date: | 2014-06-26 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | Universal pathway for posttransfer editing reactions: Insights from the crystal structure of TtPheRS with puromycin.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4U86
 | | Human Pin1 with cysteine sulfonic acid 113 | | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Li, W, Zhang, Y. | | Deposit date: | 2014-08-01 | | Release date: | 2015-04-08 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease.
Neurobiol.Dis., 76, 2015
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4U8G
 | | Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus agalactiae | | Descriptor: | Putative uncharacterized protein gbs1891 | | Authors: | Maruyama, Y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2014-08-03 | | Release date: | 2014-12-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE.
J.Biol.Chem., 290, 2015
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4U8Z
 | | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | | Deposit date: | 2014-08-05 | | Release date: | 2015-03-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor.
J.Med.Chem., 58, 2015
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4TX6
 | | AfChiA1 in complex with compound 1 | | Descriptor: | 3-(2-methoxyphenyl)-6-methyl[1,2]oxazolo[5,4-d]pyrimidin-4(5H)-one, Class III chitinase ChiA1, PHOSPHATE ION | | Authors: | van Aalten, D.M.F. | | Deposit date: | 2014-07-02 | | Release date: | 2014-08-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Screening-based discovery of Aspergillus fumigatus plant-type chitinase inhibitors
FEBS Lett, 588, 2014
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4TY8
 | | An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline | | Descriptor: | 6-methyl-2H-chromen-2-one, Polyprotein | | Authors: | Shui, W, Yang, C, Lin, J, Chen, X, Qin, S, Chen, S. | | Deposit date: | 2014-07-08 | | 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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4UB7
 | | High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond | | Descriptor: | 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G. | | Deposit date: | 2014-08-12 | | Release date: | 2015-07-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures.
Acs Chem.Biol., 10, 2015
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4UBK
 | | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 7.40 MGy at 100K | | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | | Deposit date: | 2014-08-13 | | Release date: | 2015-08-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
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4TYT
 | | Crystal Structure of BcII metallo-beta-lactamase in complex with ML302F | | Descriptor: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase 2, GLYCEROL, ... | | Authors: | Brem, J, van Berkel, S.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2014-07-09 | | Release date: | 2014-11-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Rhodanine hydrolysis leads to potent thioenolate mediated metallo-beta-lactamase inhibition.
Nat.Chem., 6, 2014
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4U2C
 | | Crystal structure of dienelactone hydrolase A-6 variant (S7T, A24V, Q35H, F38L, Q110L, C123S, Y145C, E199G and S208G) at 1.95 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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