6RZ2
 
 | | SalL with Chloroadenosine | | Descriptor: | 5'-CHLORO-5'-DEOXYADENOSINE, Adenosyl-chloride synthase | | Authors: | McKean, I, Frese, A, Cuetos, A, Burley, G, Grogan, G. | | Deposit date: | 2019-06-12 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | S-Adenosyl Methionine Cofactor Modifications Enhance the Biocatalytic Repertoire of Small Molecule C-Alkylation.
Angew.Chem.Int.Ed.Engl., 58, 2019
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6S0O
 | | Crystal Structure of Two-Domain Laccase from Streptomyces griseoflavus produced at 0.25 mM copper sulfate in growth medium | | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, GLYCEROL, ... | | Authors: | Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A. | | Deposit date: | 2019-06-17 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
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6E5Z
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5O2E
 | | Crystal structure of NDM-1 in complex with hydrolyzed cefuroxime - new refinement | | Descriptor: | (2R,5S)-5-[(carbamoyloxy)methyl]-2-[(R)-carboxy{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-05-20 | | Release date: | 2018-12-26 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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2OBY
 | | Crystal structure of Human P53 inducible oxidoreductase (TP53I3,PIG3) | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative quinone oxidoreductase | | Authors: | Porte, S, Valencia, E, Farres, J, Fita, I, Pike, A.C.W, Shafqat, N, Debreczeni, J, Johansson, C, Haroniti, A, Gileadi, O, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, von Delft, F, Oppermann, U, Pares, X. | | Deposit date: | 2006-12-20 | | Release date: | 2007-01-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human P53 inducible oxidoreductase (TP53I3, PIG3)
To be Published
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6JES
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4CQK
 | | Crystal structure of ligand-bound NaD1 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, FLOWER-SPECIFIC DEFENSIN, SULFATE ION, ... | | Authors: | Lay, F.T, Mills, G.M, Poon, I.K.H, Baxter, A.A, Hulett, M.D, Kvansakul, M. | | Deposit date: | 2014-02-17 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Phosphoinositide-Mediated Oligomerization of a Defensin Induces Cell Lysis.
Elife, 3, 2014
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6JF9
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6S88
 | | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator N-(2-Methoxy-5-((1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)sulfonyl)phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide | | Descriptor: | FORMIC ACID, Fumarate hydratase class II, MAGNESIUM ION, ... | | Authors: | Whitehouse, A.J, Libardo, M.D, Kasbekar, M, Brear, P, Fischer, G, Thomas, C.J, Barry, C.E, Boshoff, H.I, Coyne, A.G, Abell, C. | | Deposit date: | 2019-07-08 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Targeting of Fumarate Hydratase fromMycobacterium tuberculosisUsing Allosteric Inhibitors with a Dimeric-Binding Mode.
J.Med.Chem., 62, 2019
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6S42
 | | The double mutant(Ile44Leu+Gln102His) of haloalkane dehalogenase DbeA from Bradyrhizobium elkanii USDA94 with an eliminated halide-binding site | | Descriptor: | CHLORIDE ION, HEXANE-1,6-DIOL, Haloalkane dehalogenase, ... | | Authors: | Pudnikova, T, Mesters, J.R, Kuta Smatanova, I. | | Deposit date: | 2019-06-26 | | Release date: | 2020-02-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystallization and Crystallographic Analysis of a Bradyrhizobium Elkanii USDA94 Haloalkane Dehalogenase Variant with an Eliminated Halide-Binding Site
Crystals, 2019
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2OEC
 | | Crystal structure of the uridine phosphorylase from Salmonella typhimurium in complex with 2,2'-anhydrouridine and potassium ion at 2.194A resolution | | Descriptor: | 2,2'-Anhydro-(1-beta-D-arabinofuranosyl)uracil, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Timofeev, V.I, Lashkov, A.A, Pavlyuk, B.P, Mikhailov, A.M. | | Deposit date: | 2006-12-29 | | Release date: | 2008-01-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Crystal structure of the uridine phosphorylase from Salmonella typhimurium in complex with 2,2'-anhydrouridine and potassium ion at 2.194A resolution
To be Published
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5OBX
 | | Mycoplasma genitalium DnaK-NBD | | Descriptor: | Chaperone protein DnaK, GLYCEROL, SULFATE ION, ... | | Authors: | Adell, M, Calisto, B, Fita, I, Martinelli, L. | | Deposit date: | 2017-06-29 | | Release date: | 2018-05-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The nucleotide-bound/substrate-bound conformation of the Mycoplasma genitalium DnaK chaperone.
Protein Sci., 27, 2018
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6S1S
 | | Crystal structure of AmpC from Pseudomonas aeruginosa in complex with [3-(2-carboxyvinyl)phenyl]boronic acid] inhibitor | | Descriptor: | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Kekez, I, Vicario, M, Bellio, P, Tosoni, E, Celenza, G, Blazquez, J, Tondi, D, Cendron, L. | | Deposit date: | 2019-06-19 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Phenylboronic Acids Probing Molecular Recognition against Class A and Class C beta-lactamases.
Antibiotics, 8, 2019
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5O2F
 | | Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-05-20 | | Release date: | 2018-12-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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6TLZ
 | | N-Domain P40/P90 Mycoplasma pneumoniae complexed with 3'SL | | Descriptor: | Mgp-operon protein 3, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Vizarraga, D, Aparicio, D, Illanes, R, Fita, I, Perez-Luque, R, Martin, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-11-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Immunodominant proteins P1 and P40/P90 from human pathogen Mycoplasma pneumoniae.
Nat Commun, 11, 2020
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5OH4
 | | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with Piperidine-2,6-dione (Glutarimide) | | Descriptor: | Cereblon isoform 4, ZINC ION, piperidine-2,6-dione | | Authors: | Boichenko, I, Albrecht, R, Lupas, A.N, Hernandez Alvarez, B, Hartmann, M.D. | | Deposit date: | 2017-07-14 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Chemical Ligand Space of Cereblon.
Acs Omega, 3, 2018
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1MJG
 | | CRYSTAL STRUCTURE OF BIFUNCTIONAL CARBON MONOXIDE DEHYDROGENASE/ACETYL-COA SYNTHASE(CODH/ACS) FROM MOORELLA THERMOACETICA (F. CLOSTRIDIUM THERMOACETICUM) | | Descriptor: | ACETATE ION, CARBON MONOXIDE DEHYDROGENASE BETA SUBUNIT, COPPER (I) ION, ... | | Authors: | Doukov, T.I, Iverson, T.M, Seravalli, J, Ragsdale, S.W, Drennan, C.L. | | Deposit date: | 2002-08-27 | | Release date: | 2003-01-28 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Ni-Fe-Cu center in a bifunctional carbon monoxide dehydrogenase/acetyl-CoA
synthase
Science, 298, 2002
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1KO3
 | | VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with Cys221 reduced | | Descriptor: | ACETATE ION, CHLORIDE ION, HYDROXIDE ION, ... | | Authors: | Garcia-Saez, I, Docquier, J.-D, Rossolini, G.M, Dideberg, O. | | Deposit date: | 2001-12-20 | | Release date: | 2003-09-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The three-dimensional structure of VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa in its reduced and oxidised form
J.Mol.Biol., 375, 2008
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6JFC
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6JFN
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1KL3
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6EZY
 | | ARABIDOPSIS THALIANA GSTF9, GSH AND GSOH BOUND | | Descriptor: | BROMIDE ION, GLUTATHIONE, GLYCEROL, ... | | Authors: | Tossounian, M.A, Wahni, K, VanMolle, I, Rosado, L, Vertommen, D, Messens, J. | | Deposit date: | 2017-11-16 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility.
Protein Sci., 28, 2019
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6EZH
 | | Torpedo californica AChE in complex with indolic multi-target directed ligand | | Descriptor: | 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | | Authors: | Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C. | | Deposit date: | 2017-11-15 | | Release date: | 2018-11-21 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase.
Eur J Med Chem, 162, 2018
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4EAD
 | | Thymidine phosphorylase from E.coli with 3'-azido-2'-fluoro-dideoxyuridine | | Descriptor: | 2',3'-dideoxy-2'-fluoro-3'-triaza-1,2-dien-2-ium-1-yluridine, GLYCEROL, SULFATE ION, ... | | Authors: | Timofeev, V.I, Abramchik, Y.A, Esipov, R.S, Kuranova, I.P. | | Deposit date: | 2012-03-22 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Thymidine phosphorylase from E.coli with 3'-azido-2'-fluoro-dideoxyuridine
To be Published
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3ANZ
 | | Crystal Structure of alpha-hemolysin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETIC ACID, Alpha-hemolysin | | Authors: | Yamashita, K, Kawauchi, H, Tanaka, Y, Yao, M, Tanaka, I. | | Deposit date: | 2010-09-16 | | Release date: | 2011-06-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | 2-Methyl-2,4-pentanediol induces spontaneous assembly of staphylococcal alpha-hemolysin into heptameric pore structure
Protein Sci., 20, 2011
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