5ODZ
| CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-163 | Descriptor: | Beta-lactamase, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S. | Deposit date: | 2017-07-07 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis. Acta Crystallogr F Struct Biol Commun, 73, 2017
|
|
5OEC
| Human Rab32 (18-201):GDP in complex with Salmonella GtgE (21-214) C45A mutant | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GtgE, MAGNESIUM ION, ... | Authors: | Wachtel, R, Braeuning, B, Mader, S.L, Ecker, F, Kaila, V.R.I, Groll, M, Itzen, A. | Deposit date: | 2017-07-07 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The protease GtgE from Salmonella exclusively targets inactive Rab GTPases. Nat Commun, 9, 2018
|
|
5OFW
| Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Chloro-4-fluorobenzamide | Descriptor: | 3-chloranyl-4-fluoranyl-benzamide, D-3-phosphoglycerate dehydrogenase | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | Deposit date: | 2017-07-11 | Release date: | 2017-08-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer. Oncotarget, 9, 2018
|
|
5OG7
| Endothiapepsin in complex with hydrazide fragment | Descriptor: | 3-chloranyl-~{N}'-(4,5-dihydro-1~{H}-imidazol-3-ium-2-yl)propanehydrazide, DIMETHYL SULFOXIDE, Endothiapepsin | Authors: | Metz, A, Klauser, P.C, Heine, A, Klebe, G. | Deposit date: | 2017-07-12 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.823 Å) | Cite: | Endothiapepsin in complex with hydrazide fragment To Be Published
|
|
5OEZ
| Crystal structure of Leishmania major fructose-1,6-bisphosphatase in apo form. | Descriptor: | FBP protein | Authors: | Yuan, M, Vasquez-Valdivieso, M.G, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | Deposit date: | 2017-07-10 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structures of Leishmania Fructose-1,6-Bisphosphatase Reveal Species-Specific Differences in the Mechanism of Allosteric Inhibition. J. Mol. Biol., 429, 2017
|
|
5OFH
| Cu nitrite reductase serial data at varying temperatures RT 0.15MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-11 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
|
|
5A0N
| N-terminal thioester domain of protein F2 like fibronectin-binding protein from Streptococcus pneumoniae | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, PROTEIN F2 LIKE FIBRONECTIN-BINDING PROTEIN | Authors: | Walden, M, Edwards, J.M, Dziewulska, A.M, Kan, S.-Y, Schwarz-Linek, U, Banfield, M.J. | Deposit date: | 2015-04-21 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | An internal thioester in a pathogen surface protein mediates covalent host binding. Elife, 4, 2015
|
|
5OH1
| Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Aminoglutethimide | Descriptor: | (3~{R})-3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione, Cereblon isoform 4, S-Thalidomide, ... | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | Deposit date: | 2017-07-14 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Chemical Ligand Space of Cereblon. Acs Omega, 3, 2018
|
|
5OGC
| Molecular basis of human kinesin-8 function and inhibition | Descriptor: | 4-chloranyl-2-nitro-1-(phenylsulfonyl)benzene, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Locke, J, Joseph, A.P, Topf, M, Moores, C.A. | Deposit date: | 2017-07-12 | Release date: | 2017-10-25 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structural basis of human kinesin-8 function and inhibition. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5OH9
| Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Thiazolidine-2,4-dione | Descriptor: | 1,3-thiazole-2,4-dione, Cereblon isoform 4, ZINC ION | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | Deposit date: | 2017-07-14 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Chemical Ligand Space of Cereblon. Acs Omega, 3, 2018
|
|
5OH3
| Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Ethosuximide | Descriptor: | (3~{S})-3-ethyl-3-methyl-pyrrolidine-2,5-dione, Cereblon isoform 4, ZINC ION | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | Deposit date: | 2017-07-14 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Chemical Ligand Space of Cereblon. Acs Omega, 3, 2018
|
|
4WHL
| A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1 | Descriptor: | C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR, Serine/threonine-protein kinase PLK1 | Authors: | Bang, J.K, Han, Y.H, Ahn, M.J, Lee, K.S. | Deposit date: | 2014-09-23 | Release date: | 2014-12-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | A new class of peptidomimetics targeting the polo-box domain of polo-like kinase 1. J.Med.Chem., 58, 2015
|
|
5OI2
| |
5OI3
| |
5OIX
| Structure of the HMPV P oligomerization domain at 1.6 A | Descriptor: | GLYCEROL, Phosphoprotein | Authors: | Renner, M, Paesen, G.C, Grison, C.M, Granier, S, Grimes, J.M, Leyrat, C. | Deposit date: | 2017-07-19 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural dissection of human metapneumovirus phosphoprotein using small angle x-ray scattering. Sci Rep, 7, 2017
|
|
5A91
| 15K X-ray ligand free: Exploring the Mechanism of beta-Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | Descriptor: | Beta-lactamase Toho-1, SULFATE ION | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
|
|
5OIA
| |
5A9A
| Crystal structure of Simulium ubiquitum CPV20 polyhedra | Descriptor: | POLYHEDRIN, URIDINE 5'-TRIPHOSPHATE | Authors: | Ji, X, Axford, D, Owen, R, Evans, G, Ginn, H.M, Sutton, G, Stuart, D.I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.822 Å) | Cite: | Polyhedra Structures and the Evolution of the Insect Viruses. J.Struct.Biol., 192, 2015
|
|
5OJW
| S. cerevisiae UBC13 - MMs2 complex | Descriptor: | Ubiquitin-conjugating enzyme E2 13, Ubiquitin-conjugating enzyme variant MMS2 | Authors: | Sharon, I, Rathi, R, Levin-Kravets, O, Attali, I, Prag, G. | Deposit date: | 2017-07-24 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | S. cerevisiae UBC13 - MMs2 complex To Be Published
|
|
5AAQ
| TBK1 recruitment to cytosol-invading Salmonella induces anti- bacterial autophagy | Descriptor: | CALCIUM-BINDING AND COILED-COIL DOMAIN-CONTAINING PROTEIN 2, ZINC ION | Authors: | Thurston, T.L, Allen, M.D, Ravenhill, B, Karpiyevitch, M, Bloor, S, Kaul, A, Matthews, S, Komander, D, Holden, D, Bycroft, M, Randow, F. | Deposit date: | 2015-07-28 | Release date: | 2016-07-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Recruitment of Tbk1 to Cytosol-Invading Salmonella Induces Wipi2-Dependent Antibacterial Autophagy. Embo J., 35, 2016
|
|
5OK4
| Crystal structure of native [Fe]-hydrogenase Hmd from Methanothermobacter marburgensis inactivated by O2. | Descriptor: | 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, 5,10-methenyltetrahydromethanopterin hydrogenase, FE (III) ION, ... | Authors: | Wagner, T, Huang, G, Bill, E, Ermler, U, Ataka, K, Shima, S. | Deposit date: | 2017-07-25 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Dioxygen Sensitivity of [Fe]-Hydrogenase in the Presence of Reducing Substrates. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
5ABF
| Structure of GH84 with ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... | Authors: | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | Deposit date: | 2015-08-05 | Release date: | 2015-11-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
5OL5
| Crystal structure of an inactivated Ssp SICLOPPS intein with CFAHPQ extein | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, DNA polymerase III subunit alpha,DNA polymerase III subunit alpha, ... | Authors: | Kick, L.M, Schneider, S. | Deposit date: | 2017-07-26 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.329 Å) | Cite: | Mechanistic Insights into Cyclic Peptide Generation by DnaE Split-Inteins through Quantitative and Structural Investigation. Chembiochem, 18, 2017
|
|
4UZU
| Three-dimensional structure of a variant `Termamyl-like' Geobacillus stearothermophilus alpha-amylase at 1.9 A resolution | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, CHLORIDE ION, ... | Authors: | Offen, W.A, Anderson, C, Borchert, T.V, Wilson, K.S, Davies, G.J. | Deposit date: | 2014-09-09 | Release date: | 2015-01-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Three-Dimensional Structure of a Variant `Termamyl-Like' Geobacillus Stearothermophilus Alpha-Amylase at 1.9 A Resolution Acta Crystallogr.,Sect.F, 71, 2015
|
|
5OJU
| Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) E419A variant in complex with glucosylglycerate | Descriptor: | (2R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Cereija, T.B, Macedo-Ribeiro, S, Pereira, P.J.B. | Deposit date: | 2017-07-24 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | The structural characterization of a glucosylglycerate hydrolase provides insights into the molecular mechanism of mycobacterial recovery from nitrogen starvation. Iucrj, 6, 2019
|
|