5QH8
 
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102558 | | Descriptor: | 1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one, ACETATE ION, Peroxisomal coenzyme A diphosphatase NUDT7 | | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2018-05-15 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
|
|
6E9U
 | | The crystal structure of bovine ultralong antibody BOV-7 | | Descriptor: | Bovine ultralong antibody BOV-7 heavy chain, Bovine ultralong antibody BOV-7 light chain | | Authors: | Dong, J, Crowe, J.E. | | Deposit date: | 2018-08-01 | | Release date: | 2019-05-01 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Structural Diversity of Ultralong CDRH3s in Seven Bovine Antibody Heavy Chains.
Front Immunol, 10, 2019
|
|
6EP0
 | |
6EP6
 | | ARABIDOPSIS THALIANA GSTU23, reduced | | Descriptor: | GLYCEROL, Glutathione S-transferase U23, MAGNESIUM ION | | Authors: | Tossounian, M.A, Van Molle, I, Wahni, K, Jacques, S, Vertommen, D, Gevaert, K, Van Breusegem, F, Young, D, Rosado, L, Messens, J. | | Deposit date: | 2017-10-10 | | Release date: | 2018-04-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.592 Å) | | Cite: | Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage.
Biochim. Biophys. Acta, 1862, 2018
|
|
5MV0
 | | Structure of an N-terminal domain of a reptarenavirus L protein | | Descriptor: | L protein, PHOSPHATE ION | | Authors: | Rosenthal, M, Gogrefe, N, Reguera, J, Vogel, D, Rauschenberger, B, Cusack, S, Gunther, S, Reindl, S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural insights into reptarenavirus cap-snatching machinery.
PLoS Pathog., 13, 2017
|
|
5MVH
 | | Glycoside Hydrolase BACCELL_00856 | | Descriptor: | BACCELL_00856 | | Authors: | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | | Deposit date: | 2017-01-16 | | Release date: | 2017-04-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unusual active site location and catalytic apparatus in a glycoside hydrolase family.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5V72
 | | Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase SMc04462 (SmGhrB) from Sinorhizobium meliloti in complex with citrate | | Descriptor: | CHLORIDE ION, CITRIC ACID, GLYCEROL, ... | | Authors: | Shabalin, I.G, Handing, K.B, Gasiorowska, O.A, Cooper, D.R, Matelska, D, Bonanno, J, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2017-03-17 | | Release date: | 2017-03-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural, Biochemical, and Evolutionary Characterizations of Glyoxylate/Hydroxypyruvate Reductases Show Their Division into Two Distinct Subfamilies.
Biochemistry, 57, 2018
|
|
5MXF
 | | Photorhabdus asymbiotica lectin (PHL) in complex with alpha-methyl fucoside | | Descriptor: | CHLORIDE ION, Photorhabdus asymbiotica lectin PHL, SODIUM ION, ... | | Authors: | Jancarikova, G, Houser, J, Demo, G, Wimmerova, M. | | Deposit date: | 2017-01-23 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of novel bangle lectin from Photorhabdus asymbiotica with dual sugar-binding specificity and its effect on host immunity.
PLoS Pathog., 13, 2017
|
|
5MWH
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ089 | | Descriptor: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-01-18 | | Release date: | 2018-02-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
|
|
5GS8
 | | Crystal structure of TLA-3 extended-spectrum beta-lactamase | | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | | Authors: | Wachino, J, Jin, W, Arakawa, Y. | | Deposit date: | 2016-08-14 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
|
|
5MX9
 | | High resolution crystal structure of the MCR-2 catalytic domain | | Descriptor: | GLYCEROL, Phosphatidylethanolamine transferase Mcr-2, ZINC ION | | Authors: | Hinchliffe, P, Coates, K, Walsh, T.R, Spencer, J. | | Deposit date: | 2017-01-22 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | 1.12 angstrom resolution crystal structure of the catalytic domain of the plasmid-mediated colistin resistance determinant MCR-2.
Acta Crystallogr F Struct Biol Commun, 73, 2017
|
|
5MMV
 | | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | | Descriptor: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | | Deposit date: | 2016-12-12 | | Release date: | 2017-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1)
To Be Published
|
|
6EEC
 | | Mycobacterium tuberculosis RNAP promoter unwinding intermediate complex with RbpA/CarD and AP3 promoter captured by Corallopyronin | | Descriptor: | DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ... | | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | | Deposit date: | 2018-08-13 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.55 Å) | | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding.
Nature, 565, 2019
|
|
8BC3
 | | Cryo-EM Structure of a BmSF-TAL - Sulfofructose Schiff Base Complex | | Descriptor: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid, BmSF-TAL | | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | | Deposit date: | 2022-10-14 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.1 Å) | | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism.
Structure, 31, 2023
|
|
5MNL
 | |
5MOO
 | | Joint X-ray/neutron structure of cationic trypsin in complex with aniline | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.441 Å), X-RAY DIFFRACTION | | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
5GUY
 | | Structural and functional study of chuY from E. coli CFT073 strain | | Descriptor: | Uncharacterized protein chuY | | Authors: | Kim, H, Choi, J, HA, S.C, Chaurasia, A.K, Kim, D, Kim, K.K. | | Deposit date: | 2016-08-31 | | Release date: | 2017-03-08 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | Structural and functional study of ChuY from Escherichia coli strain CFT073
Biochem. Biophys. Res. Commun., 482, 2017
|
|
5MOT
 | | Crystal structure of CK2alpha with ZT0627 bound | | Descriptor: | 4-HYDROXYBENZAMIDE, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2016-12-14 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
|
|
5MPJ
 | | 1-(2-chloro-[1,1'-biphenyl]-4-yl)-N-methylethanamine | | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-ethyl-azanium, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2016-12-16 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
|
|
8BC2
 | | Ligand-Free Structure of the decameric sulfofructose transaldolase BmSF-TAL | | Descriptor: | Transaldolase | | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | | Deposit date: | 2022-10-14 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism.
Structure, 31, 2023
|
|
5GWA
 | | Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Wachino, J, Jin, W, Arakawa, Y. | | Deposit date: | 2016-09-09 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595.
Antimicrob. Agents Chemother., 61, 2017
|
|
5QGJ
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000706a | | Descriptor: | 2-ethyl-N-(2-hydroxyphenyl)butanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2018-05-15 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
|
|
5MWZ
 | |
5QGW
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000154 | | Descriptor: | 2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2018-05-15 | | Release date: | 2019-03-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
|
|
8BC4
 | | Cryo-EM Structure of a BmSF-TAL - Sulfofructose Schiff Base Complex in symmetry group C1 | | Descriptor: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid, Transaldolase | | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | | Deposit date: | 2022-10-14 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism.
Structure, 31, 2023
|
|
