6TJC
 
 | | Crystal structure of the computationally designed Cake3 protein | | Descriptor: | Cake3, GLYCEROL, PHOSPHATE ION | | Authors: | Laier, I, Mylemans, B, Voet, A.R.D, Noguchi, H. | | Deposit date: | 2019-11-26 | | Release date: | 2020-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
|
|
6T4S
 | |
6TJG
 | | Crystal structure of the computationally designed Cake8 protein | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cake8 | | Authors: | Laier, I, Mylemans, B, Noguchi, H, Voet, A.R.D. | | Deposit date: | 2019-11-26 | | Release date: | 2020-05-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
|
|
5N83
 | |
6T5D
 | |
5N8I
 | | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 100K reference dataset. | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION | | Authors: | Horrell, S, Kekilli, D, Hough, M, Strange, R. | | Deposit date: | 2017-02-23 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
|
|
7BAF
 | | Crystal structure of PAFB in complex with zinc | | Descriptor: | ACETATE ION, Antifungal protein, ZINC ION | | Authors: | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | | Deposit date: | 2020-12-15 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.123 Å) | | Cite: | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene.
J.Struct.Biol., 213, 2021
|
|
6TLH
 | |
5NA8
 | |
7BAE
 | | Crystal structure of PAFB | | Descriptor: | Antifungal protein | | Authors: | Guagnini, F, Huber, A, Alex, J.M, Marx, F, Crowley, P.B. | | Deposit date: | 2020-12-15 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Porous assembly of an antifungal protein mediated by zinc and sulfonato-calix[8]arene.
J.Struct.Biol., 213, 2021
|
|
6T7F
 | | RCR E3 ligase E2-Ubiquitin transthiolation intermediate | | Descriptor: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ... | | Authors: | Mabbitt, P.D, Virdee, S. | | Deposit date: | 2019-10-21 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity.
Nat.Chem.Biol., 16, 2020
|
|
7C20
 | |
6TMA
 | |
5NBU
 | |
7BBC
 | | Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose | | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-17 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
|
|
6T8N
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007 | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, DIMETHYL SULFOXIDE, ... | | Authors: | Adamson, R.J, Williams, E.P, Bonomo, S, Rankin, S, Bacos, D, Rae, A, Cramp, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-10-24 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K3007
To Be Published
|
|
5NE1
 | | L2 class A serine-beta-lactamase in complex with cyclic boronate 2 | | Descriptor: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL | | Authors: | Hinchliffe, P, Calvopina, K, Spencer, J. | | Deposit date: | 2017-03-09 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
|
|
7BY9
 | | Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Nicotinamide Adenine Dinucleotide (NAD) | | Descriptor: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXALOACETATE ION | | Authors: | Shimozawa, Y, Nakamura, T, Himiyama, T, Nishiya, Y. | | Deposit date: | 2020-04-22 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus.
J.Biochem., 170, 2021
|
|
5NC0
 | | The 0.91 A resolution structure of the L16G mutant of cytochrome c prime from Alcaligenes xylosoxidans, complexed with nitric oxide | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome c', HEME C, ... | | Authors: | Strange, R, Hough, M, Antonyuk, S, Rustage, N. | | Deposit date: | 2017-03-02 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.91 Å) | | Cite: | Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory.
Inorg Chem, 56, 2017
|
|
6T9W
 | | Crystal structure of formate dehydrogenase FDH2 D222A/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide. | | Descriptor: | AZIDE ION, Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | | Deposit date: | 2019-10-29 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
Chemcatchem, 2020
|
|
6T77
 | | Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution | | Descriptor: | 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Vella, P, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2019-10-21 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2021
|
|
6TB6
 | | Crystal structure of formate dehydrogenase FDH2 D222S/Q223R enzyme from Granulicella mallensis MP5ACTX8 in complex with NADP and azide. | | Descriptor: | AZIDE ION, COBALT (II) ION, Formate dehydrogenase, ... | | Authors: | Robescu, M.S, Rubini, R, Filippini, F, Bergantino, B, Cendron, L. | | Deposit date: | 2019-11-01 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
Chemcatchem, 2020
|
|
5NE5
 | | Crystal structure of family 47 alpha-1,2-mannosidase from Caulobacter K31 strain in complex with kifunensine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, KIFUNENSINE, ... | | Authors: | Males, A, Davies, G.J. | | Deposit date: | 2017-03-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach.
Chembiochem, 18, 2017
|
|
7BYA
 | | Malate Dehydrogenase from Geobacillus stearothermophilus (gs-MDH) complexed with Oxaloacetic Acid (OAA) and Adenosine 5'-Diphosphoribose (APR) | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Malate dehydrogenase, OXALOACETATE ION | | Authors: | Shimozawa, Y, Nakamura, T, Himiyama, T, Nishiya, Y. | | Deposit date: | 2020-04-22 | | Release date: | 2021-03-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis and reaction mechanism of malate dehydrogenase from Geobacillus stearothermophilus.
J.Biochem., 170, 2021
|
|
6TJQ
 | | Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside | | Descriptor: | (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2019-11-26 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
|
|
