6E6E
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![BU of 6e6e by Molmil](/molmil-images/mine/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
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5LL4
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5IF6
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7NM8
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![BU of 7nm8 by Molmil](/molmil-images/mine/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
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4XK0
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![BU of 4xk0 by Molmil](/molmil-images/mine/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
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5LQA
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7PY2
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![BU of 7py2 by Molmil](/molmil-images/mine/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
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8G4P
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![BU of 8g4p by Molmil](/molmil-images/mine/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
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7SBB
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6REL
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![BU of 6rel by Molmil](/molmil-images/mine/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
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8T84
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![BU of 8t84 by Molmil](/molmil-images/mine/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
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7NM7
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![BU of 7nm7 by Molmil](/molmil-images/mine/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
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6ULW
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![BU of 6ulw by Molmil](/molmil-images/mine/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
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6OUF
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5LPO
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![BU of 5lpo by Molmil](/molmil-images/mine/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
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4XDG
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![BU of 4xdg by Molmil](/molmil-images/mine/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
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6EBL
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![BU of 6ebl by Molmil](/molmil-images/mine/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
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8E7D
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5IIZ
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![BU of 5iiz by Molmil](/molmil-images/mine/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
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7RX0
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![BU of 7rx0 by Molmil](/molmil-images/mine/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
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6ECU
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5LRA
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![BU of 5lra by Molmil](/molmil-images/mine/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
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5M1O
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![BU of 5m1o by Molmil](/molmil-images/mine/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
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8EDD
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![BU of 8edd by Molmil](/molmil-images/mine/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
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6XZE
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![BU of 6xze by Molmil](/molmil-images/mine/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
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