5UCI
 
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
|
|
6T18
 | | ASR Alternansucrase in complex with oligoalternan | | Descriptor: | Alternansucrase, CALCIUM ION, alpha-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | | Authors: | Cioci, G, Molina, M, Moulis, C, Remaud-Simeon, M. | | Deposit date: | 2019-10-03 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A specific oligosaccharide-binding site in the alternansucrase catalytic domain mediates alternan elongation.
J.Biol.Chem., 295, 2020
|
|
7JQM
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with Bac7-002, mRNA, and deacylated P-site tRNA at 3.05A resolution | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Mardirossian, M, Sola, R, Beckert, B, Valencic, E, Collis, D.W.P, Borisek, J, Armas, F, Di Stasi, A, Buchmann, J, Syroegin, E.A, Polikanov, Y.S, Magistrato, A, Hilpert, K, Wilson, D.N, Scocchi, M. | | Deposit date: | 2020-08-11 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Peptide Inhibitors of Bacterial Protein Synthesis with Broad Spectrum and SbmA-Independent Bactericidal Activity against Clinical Pathogens.
J.Med.Chem., 63, 2020
|
|
1KSJ
 | | Complex of Arl2 and PDE delta, Crystal Form 2 (SeMet) | | Descriptor: | BETA-MERCAPTOETHANOL, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Hanzal-Bayer, M, Renault, L, Roversi, P, Wittinghofer, A, Hillig, R.C. | | Deposit date: | 2002-01-13 | | Release date: | 2002-05-08 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The complex of Arl2-GTP and PDE delta: from structure to function
EMBO J., 21, 2002
|
|
1YNT
 | | Structure of the monomeric form of T. gondii SAG1 surface antigen bound to a human Fab | | Descriptor: | 4F11E12 Fab variable heavy chain region, 4F11E12 Fab variable light chain region, CADMIUM ION, ... | | Authors: | Graille, M, Stura, E.A, Bossus, M, Muller, B.H, Letourneur, O, Battail-Poirot, N, Sibai, G, Rolland, D, Le Du, M.H, Ducancel, F. | | Deposit date: | 2005-01-25 | | Release date: | 2005-12-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of the complex between the monomeric form of Toxoplasma gondii surface antigen 1 (SAG1) and a monoclonal antibody that mimics the human immune response
J.Mol.Biol., 354, 2005
|
|
5UCH
 | | Hsp90b N-terminal domain with inhibitors | | Descriptor: | 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Peng, S, Balch, M, Matts, R, Deng, J. | | Deposit date: | 2016-12-22 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.654 Å) | | Cite: | Structure-guided design of an Hsp90 beta N-terminal isoform-selective inhibitor.
Nat Commun, 9, 2018
|
|
7JRN
 | | Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617 | | Descriptor: | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ... | | Authors: | Sacco, M, Ma, C, Wang, J, Chen, Y. | | Deposit date: | 2020-08-12 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
|
|
6STR
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 60 seconds soaking | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STQ
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 30 seconds soaking | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STN
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl glucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STM
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) | | Descriptor: | Arundo donax Lectin (ADL), GLYCEROL | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STP
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with sialic acid | | Descriptor: | Arundo donax Lectin (ADL), GLYCEROL, N-acetyl-alpha-neuraminic acid | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
6STO
 | | Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ... | | Authors: | Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E. | | Deposit date: | 2019-09-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
|
|
5CCJ
 | |
6ST5
 | | crystal structure of LicM2 | | Descriptor: | GLYCEROL, LicM2, MAGNESIUM ION, ... | | Authors: | Gonsior, M, Mainz, A, Hugelland, M, Kuthning, A, Tietzmann, M, Dobbek, H, Martins, B.M, Sussmuth, R. | | Deposit date: | 2019-09-10 | | Release date: | 2022-08-10 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | crystal structure of LicM2
To Be Published
|
|
7OMX
 | | Thermus sp. 2.9 DarT in complex with carba-NAD+ | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DarT domain-containing protein, THIOCYANATE ION | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
|
|
7OMV
 | | Thermus sp. 2.9 DarT | | Descriptor: | CHLORIDE ION, DarT domain-containing protein, THIOCYANATE ION | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
|
|
6SZF
 | | Solution structure of the amyloid beta-peptide (1-42) | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Grimaldi, M, Santoro, A, Stillitano, I, Buonocore, M, D'Ursi, A.M. | | Deposit date: | 2019-10-02 | | Release date: | 2020-10-14 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Exploring the Early Stages of the Amyloid A beta (1-42) Peptide Aggregation Process: An NMR Study.
Pharmaceuticals, 14, 2021
|
|
7ON0
 | | Thermus sp. 2.9 DarT in complex with ADP-ribosylated ssDNA | | Descriptor: | DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
|
|
6PD7
 | | Crystal Structure of EcDsbA in a complex with purified morpholine carboxylic acid 7 | | Descriptor: | (3R)-4-{[4-(4-cyano-3-methylphenoxy)phenyl]acetyl}morpholine-3-carboxylic acid, Thiol:disulfide interchange protein DsbA | | Authors: | Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J. | | Deposit date: | 2019-06-18 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
|
|
6FGP
 | |
8DA2
 | | Acinetobacter baumannii L,D-transpeptidase | | Descriptor: | L,D-transpeptidase family protein | | Authors: | Toth, M, Stewart, N.K, Smith, C.A, Vakulenko, S.B. | | Deposit date: | 2022-06-12 | | Release date: | 2022-09-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The l,d-Transpeptidase Ldt Ab from Acinetobacter baumannii Is Poorly Inhibited by Carbapenems and Has a Unique Structural Architecture.
Acs Infect Dis., 8, 2022
|
|
7OMW
 | | Thermus sp. 2.9 DarT in complex with NAD+ | | Descriptor: | DarT domain-containing protein, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
|
|
1RQM
 | | SOLUTION STRUCTURE OF THE K18G/R82E ALICYCLOBACILLUS ACIDOCALDARIUS THIOREDOXIN MUTANT | | Descriptor: | Thioredoxin | | Authors: | Leone, M, Di Lello, P, Ohlenschlager, O, Pedone, E.M, Bartolucci, S, Rossi, M, Di Blasio, B, Pedone, C, Saviano, M, Isernia, C, Fattorusso, R. | | Deposit date: | 2003-12-05 | | Release date: | 2004-06-22 | | Last modified: | 2021-10-27 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Backbone Dynamics of the K18G/R82E Alicyclobacillus acidocaldarius Thioredoxin Mutant: A Molecular Analysis of Its Reduced Thermal Stability.
Biochemistry, 43, 2004
|
|
7OMY
 | | Thermus sp. 2.9 DarT in complex with carba-NAD+ and ssDNA | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, DNA (5'-D(*AP*TP*GP*TP*C)-3'), DarT domain-containing protein, ... | | Authors: | Schuller, M, Ariza, A. | | Deposit date: | 2021-05-24 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis for DarT ADP-ribosylation of a DNA base.
Nature, 596, 2021
|
|
