6RJK
 
 | | Structure of virulence factor SghA from Agrobacterium tumefaciens | | Descriptor: | Beta-glucosidase | | Authors: | Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G. | | Deposit date: | 2019-04-27 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6RL3
 | | Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-01 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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4UZG
 | | Crystal structure of group B streptococcus pilus 2b backbone protein SAK_1440 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, SURFACE PROTEIN SPB1 | | Authors: | Malito, E, Cozzi, R, Bottomley, M.J. | | Deposit date: | 2014-09-05 | | Release date: | 2015-05-13 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Structure and assembly of group B streptococcus pilus 2b backbone protein.
PLoS ONE, 10, 2015
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6RL6
 | | Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-05-01 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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5I0J
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6RKO
 | | Cryo-EM structure of the E. coli cytochrome bd-I oxidase at 2.68 A resolution | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ... | | Authors: | Safarian, S, Hahn, A, Kuehlbrandt, W, Michel, H. | | Deposit date: | 2019-04-30 | | Release date: | 2019-10-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Active site rearrangement and structural divergence in prokaryotic respiratory oxidases.
Science, 366, 2019
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4UW8
 | | Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber with its intra-molecular chaperone domain | | Descriptor: | CITRATE ANION, L-SHAPED TAIL FIBER PROTEIN | | Authors: | Garcia-Doval, C, Luque, D, Caston, J.R, Otero, J.M, Llamas-Saiz, A.L, Boulanger, P, van Raaij, M.J. | | Deposit date: | 2014-08-08 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone.
Viruses, 7, 2015
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6RLD
 | | STRUCTURE OF THE MECHANOSENSITIVE CHANNEL MSCS EMBEDDED IN THE MEMBRANE BILAYER | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Small-conductance mechanosensitive channel | | Authors: | Rasmussen, T, Flegler, V.J, Rasmussen, A, Boettcher, B. | | Deposit date: | 2019-05-02 | | Release date: | 2019-07-24 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of the Mechanosensitive Channel MscS Embedded in the Membrane Bilayer.
J.Mol.Biol., 431, 2019
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6RKZ
 | | Recombinant Pseudomonas stutzeri nitrous oxide reductase, form II | | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O. | | Deposit date: | 2019-04-30 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5I2E
 | | Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound Sulfamate Inhibitor 3a:3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine | | Descriptor: | 3-(5-O-{[3-(1H-indol-3-yl)propanoyl]sulfamoyl}-beta-D-ribofuranosyl)-3H-imidazo[2,1-i]purine, GLYCEROL, Histidine triad nucleotide-binding protein 1 | | Authors: | Strom, A.M, Finzel, B.C, Wagner, C.R. | | Deposit date: | 2016-02-08 | | Release date: | 2016-06-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.
Acs Med.Chem.Lett., 7, 2016
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4UVN
 | | Crystal structure of human tankyrase 2 in complex with 5-amino-3-(4- chlorophenyl)-1,2-dihydroisoquinolin-1-one | | Descriptor: | 5-amino-3-(4-chlorophenyl)isoquinolin-1(2H)-one, GLYCEROL, SULFATE ION, ... | | Authors: | Narwal, M, Haikarainen, T, Lehtio, L. | | Deposit date: | 2014-08-07 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploration of the Nicotinamide-Binding Site of the Tankyrases, Identifying 3-Arylisoquinolin-1-Ones as Potent and Selective Inhibitors in Vitro.
Bioorg.Med.Chem., 23, 2015
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6RLN
 | | Crystal structure of RIP1 kinase in complex with GSK3145095 | | Descriptor: | Receptor-interacting serine/threonine-protein kinase 1, ~{N}-[(3~{S})-7,9-bis(fluoranyl)-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl]-3-(phenylmethyl)-1~{H}-1,2,4-triazole-5-carboxamide | | Authors: | Thorpe, J.H, Harris, P.A. | | Deposit date: | 2019-05-02 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Identification of a RIP1 Kinase Inhibitor Clinical Candidate (GSK3145095) for the Treatment of Pancreatic Cancer.
Acs Med.Chem.Lett., 10, 2019
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4V1A
 | | Structure of the large subunit of the mammalian mitoribosome, part 2 of 2 | | Descriptor: | MITORIBOSOMAL PROTEIN ML37, MRPL37, MITORIBOSOMAL PROTEIN ML38, ... | | Authors: | Greber, B.J, Boehringer, D, Leibundgut, M, Bieri, P, Leitner, A, Schmitz, N, Aebersold, R, Ban, N. | | Deposit date: | 2014-09-25 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The Complete Structure of the Large Subunit of the Mammalian Mitochondrial Ribosome
Nature, 515, 2014
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4UV8
 | | LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine | | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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7DKT
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6RMR
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4V2O
 | | Structure of saposin B in complex with chloroquine | | Descriptor: | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-DIETHYL-PENTANE-1,4-DIAMINE, SAPOSIN-B | | Authors: | Zubieta, C, Lai, X, Doyle, R.P. | | Deposit date: | 2014-10-13 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Lysosomal Protein Saposin B Binds Chloroquine.
Chemmedchem, 11, 2016
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6RMS
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5I42
 | | Structure of HIV-1 Reverse Transcriptase in complex with a DNA aptamer, AZTTP, and CA(2+) ion | | Descriptor: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (38-MER), ... | | Authors: | Das, K, Arnold, E. | | Deposit date: | 2016-02-11 | | Release date: | 2016-06-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
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6RNX
 | | Crystal structure of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti) | | Descriptor: | CHLORIDE ION, HTH-type transcriptional regulator DdrOC | | Authors: | Arnoux, P, Siponen, M.I, Pignol, D, De Groot, A, Blanchard, L. | | Deposit date: | 2019-05-09 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
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6RO3
 | | 2Yr-X: Lysozyme with Re Cluster 2 year on shelf | | Descriptor: | ACETATE ION, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Brink, A, Helliwell, J.R. | | Deposit date: | 2019-05-10 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging.
Iucrj, 6, 2019
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6ROG
 | | Crystal Structure of the KELCH domain of human KEAP1 | | Descriptor: | FORMIC ACID, Kelch-like ECH-associated protein 1, SODIUM ION | | Authors: | Sethi, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bullock, A.N, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-13 | | Release date: | 2019-06-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structure of the KELCH domain of human KEAP1
To Be Published
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4PFF
 | | Crystal structure of Plasmodium vivax SHMT with PLP Schiff base | | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine hydroxymethyltransferase, putative | | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U. | | Deposit date: | 2014-04-29 | | Release date: | 2014-12-17 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of Plasmodium vivax serine hydroxymethyltransferase: implications for ligand-binding specificity and functional control.
Acta Crystallogr.,Sect.D, 70, 2014
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4P7I
 | | Crystal structure of the Merlin FERM/DCAF1 complex | | Descriptor: | GLYCEROL, Merlin, Protein VPRBP | | Authors: | Wei, Z, Li, Y, Zhang, M. | | Deposit date: | 2014-03-27 | | Release date: | 2014-04-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis of the binding of Merlin FERM domain to the E3 ubiquitin ligase substrate adaptor DCAF1.
J.Biol.Chem., 289, 2014
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5I1O
 | | Villin headpiece subdomain with a Gln26 to ACPC substitution | | Descriptor: | D-Villin headpiece subdomain, Villin-1 | | Authors: | Kreitler, D.F, Mortenson, D.E, Gellman, S.H, Forest, K.T. | | Deposit date: | 2016-02-05 | | Release date: | 2016-05-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.348 Å) | | Cite: | Effects of Single alpha-to-beta Residue Replacements on Structure and Stability in a Small Protein: Insights from Quasiracemic Crystallization.
J.Am.Chem.Soc., 138, 2016
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