6E6E
 
 | | DGY-06-116, a novel and selective covalent inhibitor of SRC kinase | | Descriptor: | N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src | | Authors: | Gurbani, D, Bera, A, Westover, K. | | Deposit date: | 2018-07-24 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
|
|
5LL4
 | |
5IF6
 | |
7NM8
 | | The crystal structure of the antimycin pathway standalone ketoreductase, AntM, in complex with NADPH | | Descriptor: | Antimycin pathway standalone ketoreductase, AntM, GLYCEROL, ... | | Authors: | Fazal, A, Hemsworth, G.R, Webb, M.E, Seipke, R.F. | | Deposit date: | 2021-02-23 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Standalone beta-Ketoreductase Acts Concomitantly with Biosynthesis of the Antimycin Scaffold.
Acs Chem.Biol., 16, 2021
|
|
4XK0
 | | Crystal structure of a tetramolecular RNA G-quadruplex in potassium | | Descriptor: | BARIUM ION, POTASSIUM ION, RNA (5'-(*UP*GP*GP*GP*GP*U)-3') | | Authors: | Chen, M.C, Murat, P, Abecassis, K.A, Ferre-D'Amare, A.R, Balasubramanian, S. | | Deposit date: | 2015-01-09 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Insights into the mechanism of a G-quadruplex-unwinding DEAH-box helicase.
Nucleic Acids Res., 43, 2015
|
|
5LQA
 | |
7PY2
 | | Structure of pathological TDP-43 filaments from ALS with FTLD | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Arseni, D, Hasegawa, H, Murzin, A.G, Kametani, F, Arai, M, Yoshida, M, Falcon, B. | | Deposit date: | 2021-10-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Structure of pathological TDP-43 filaments from ALS with FTLD.
Nature, 601, 2022
|
|
8G4P
 | | Crystal structure of the peanut allergen Ara h 2 bound by two neutralizing antibodies 13T1 and 13T5 | | Descriptor: | 1,2-ETHANEDIOL, 13T1 Fab light chain, 13T5 Fab heavy chain, ... | | Authors: | Pedersen, L.C, Mueller, G.A, Min, J. | | Deposit date: | 2023-02-10 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design of an Ara h 2 hypoallergen from conformational epitopes.
Clin Exp Allergy, 54, 2024
|
|
7SBB
 | |
6REL
 | | Crystal structure of Pizza6-SH with CdCl2 nanocrystal | | Descriptor: | CADMIUM ION, CHLORIDE ION, Pizza6-SH | | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | | Deposit date: | 2019-04-12 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Artificial beta-Propeller Protein-based Hydrolases
To Be Published
|
|
8T84
 | | Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes hexafluoroisopropanol | | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-ol, Racemic mixture of amyloid beta segment 35-MVGGVV-40 | | Authors: | Sawaya, M.R, Raskatov, J.A, Hazari, A. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets.
J.Am.Chem.Soc., 145, 2023
|
|
7NM7
 | | The crystal structure of the antimycin pathway standalone ketoreductase, AntM | | Descriptor: | Antimycin pathway standalone ketoreductase enzyme, AntM | | Authors: | Fazal, A, Hemsworth, G.R, Webb, M.E, Seipke, R.F. | | Deposit date: | 2021-02-23 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Standalone beta-Ketoreductase Acts Concomitantly with Biosynthesis of the Antimycin Scaffold.
Acs Chem.Biol., 16, 2021
|
|
6ULW
 | | Adenylation, ketoreductase, and pseudo Asub multidomain structure of a keto acid-selecting NRPS module | | Descriptor: | Amino acid adenylation domain-containing protein, CALCIUM ION, MAGNESIUM ION | | Authors: | Alonzo, D.A, Wang, J, Chiche-Lapierre, C, Schmeing, T.M. | | Deposit date: | 2019-10-08 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural basis of keto acid utilization in nonribosomal depsipeptide synthesis.
Nat.Chem.Biol., 16, 2020
|
|
6OUF
 | |
5LPO
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | | Descriptor: | 1,2-ETHANEDIOL, 6-amino-2-(methylamino)-4-(2-((2R,3R,4R,5R)-3,4,5-trimethoxytetrahydrofuran-2-yl)ethyl)-1H-imidazo[4,5-g]quinazolin-8(7H)-one, GLYCEROL, ... | | Authors: | Ehrmann, F.R, Heine, A, Klebe, G. | | Deposit date: | 2016-08-14 | | Release date: | 2017-08-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Carbohydrate-based Inhibitors targeting the Ribose-34 pocket of Z.mobilis TGT and changing the oligomeric state of the homodimer
To be published
|
|
4XDG
 | | Crystal Structure of Quinone Reductase II in complex with 2-(4-aminophenyl)-5-methoxy-1-oxy-indol-3-one molecule | | Descriptor: | (2S)-2-(4-aminophenyl)-1-hydroxy-5-methoxy-1,2-dihydro-3H-indol-3-one, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | | Authors: | Sirigu, S, Nepveu, F, Vuillard, L, Ferry, G, Isabet, T, Thompson, A, Boutin, J.A. | | Deposit date: | 2014-12-19 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Role of Quinone Reductase 2 in the Antimalarial Properties of Indolone-Type Derivatives.
Molecules, 22, 2017
|
|
6EBL
 | | The voltage-activated Kv1.2-2.1 paddle chimera channel in lipid nanodiscs, cytosolic domain | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera, Voltage-gated potassium channel subunit beta-2 | | Authors: | Matthies, D, Bae, C, Fox, T, Bartesaghi, A, Subramaniam, S, Swartz, K.J. | | Deposit date: | 2018-08-06 | | Release date: | 2018-08-22 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
|
|
8E7D
 | |
5IIZ
 | | Xanthomonas campestris Peroxiredoxin Q - Structure F0 | | Descriptor: | Bacterioferritin comigratory protein, SODIUM ION | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-01 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
|
|
7RX0
 | | Complex of AMPPNP-Kif7 and Gli2 Zinc-Finger domain bound to microtubules | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF7, MAGNESIUM ION, ... | | Authors: | Mani, N, Wilson-Kubalek, E.M, Haque, F, Freniere, C, Milligan, R.A, Subramanian, R. | | Deposit date: | 2021-08-20 | | Release date: | 2022-06-15 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | Cytoskeletal regulation of a transcription factor by DNA mimicry via coiled-coil interactions.
Nat.Cell Biol., 24, 2022
|
|
6ECU
 | |
5LRA
 | | Plastidial phosphorylase PhoI from barley in complex with maltotetraose | | Descriptor: | Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Cuesta-Seijo, J.A, Ruzanski, C, Krucewicz, K, Palcic, M.M. | | Deposit date: | 2016-08-18 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
|
|
5M1O
 | | Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Cobalt | | Descriptor: | COBALT (II) ION, Phage terminase large subunit | | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | | Deposit date: | 2016-10-09 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
|
|
8EDD
 | | Staphylococcus aureus endonuclease IV Y33F mutant | | Descriptor: | CHLORIDE ION, FE (III) ION, PHOSPHATE ION, ... | | Authors: | Saper, M.A, Kirillov, S, Isupov, M.N, Wiener, R, Rouvinski, A. | | Deposit date: | 2022-09-04 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Octahedrally coordinated iron in the catalytic site of endonuclease IV from Staphylococcus aureus
To Be Published
|
|
6XZE
 | | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | | Descriptor: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | | Authors: | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | | Deposit date: | 2020-02-04 | | Release date: | 2020-09-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
|
|
