5LI8
 
 | | Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with ketoconazole | | Descriptor: | 1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine, PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 126 | | Authors: | Levy, C, Munro, A.W, Leys, D. | | Deposit date: | 2016-07-14 | | Release date: | 2016-12-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural Characterization and Ligand/Inhibitor Identification Provide Functional Insights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1.
J. Biol. Chem., 292, 2017
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5LD5
 | | Crystal structure of a bacterial dehydrogenase at 2.19 Angstroms resolution | | Descriptor: | GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Querol-Garcia, J, Fernandez, F.J, Gomez, S, Fulla, D, Juanhuix, J, Vega, M.C. | | Deposit date: | 2016-06-23 | | Release date: | 2017-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1906 Å) | | Cite: | Crystal Structure of Glyceraldehyde-3-Phosphate Dehydrogenase from the Gram-Positive Bacterial Pathogen A. vaginae, an Immunoevasive Factor that Interacts with the Human C5a Anaphylatoxin.
Front Microbiol, 8, 2017
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8UQX
 | | Round 18 Arylesterase Variant of Apo-Phosphotriesterase Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Phosphotriesterase variant PTE-R18 | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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8UQY
 | | Round 18 Arylesterase Variant of Phosphotriesterase Bound to Europium(III) Measured at 9.5 keV | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, EUROPIUM (III) ION, ... | | Authors: | Breeze, C.W, Frkic, R.L, Campbell, E.C, Jackson, C.J. | | Deposit date: | 2023-10-25 | | Release date: | 2024-04-03 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Mononuclear binding and catalytic activity of europium(III) and gadolinium(III) at the active site of the model metalloenzyme phosphotriesterase.
Acta Crystallogr D Struct Biol, 80, 2024
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9DR5
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5LFZ
 | | T48 deacetylase | | Descriptor: | ArCE4A, NICKEL (II) ION | | Authors: | Rothweiler, U. | | Deposit date: | 2016-07-05 | | Release date: | 2017-08-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.561 Å) | | Cite: | Structure and function of a CE4 deacetylase isolated from a marine environment.
PLoS ONE, 12, 2017
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8UUB
 | | Structure of hypothiocyanous acid reductase (Har) from Streptococcus pneumoniae | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MALONATE ION, Oxidoreductase, ... | | Authors: | Shearer, H.L, Currie, M.J, Dickerhof, N, Dobson, R.C.J. | | Deposit date: | 2023-10-31 | | Release date: | 2024-04-17 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Hypothiocyanous acid reductase is critical for host colonization and infection by Streptococcus pneumoniae.
J.Biol.Chem., 300, 2024
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5LGC
 | | T48 deacetylase with substrate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ArCE4A | | Authors: | Rothweiler, U. | | Deposit date: | 2016-07-06 | | Release date: | 2017-08-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Structure and function of a CE4 deacetylase isolated from a marine environment.
PLoS ONE, 12, 2017
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9DUD
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5LIA
 | | Crystal structure of murine autotaxin in complex with a small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Turnbull, A.P, Shah, P, Cheasty, A, Raynham, T, Pang, L, Owen, P. | | Deposit date: | 2016-07-14 | | Release date: | 2016-11-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery of potent inhibitors of the lysophospholipase autotaxin.
Bioorg. Med. Chem. Lett., 26, 2016
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5LIV
 | | Crystal structure of myxobacterial CYP260A1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 CYP260A1,Cytochrome P450 CYP260A1, DIMETHYL SULFOXIDE, ... | | Authors: | Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. | | Deposit date: | 2016-07-15 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural characterization of CYP260A1 from Sorangium cellulosum to investigate the 1 alpha-hydroxylation of a mineralocorticoid.
FEBS Lett., 590, 2016
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8U87
 | | Structural Basis of Human NOX5 Activation | | Descriptor: | DODECANE, FLAVIN-ADENINE DINUCLEOTIDE, HEME B/C, ... | | Authors: | Cui, C, Jiang, M, Sun, J. | | Deposit date: | 2023-09-16 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | Structural basis of human NOX5 activation.
Nat Commun, 15, 2024
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8U85
 | | Structural Basis of Human NOX5 Activation | | Descriptor: | 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA-ALA, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cui, C, Jiang, M, Sun, J. | | Deposit date: | 2023-09-15 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis of human NOX5 activation.
Nat Commun, 15, 2024
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9DR6
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9DUF
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5LKR
 | | Human Butyrylcholinesterase complexed with N-Propargyliperidines | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cholinesterase, ... | | Authors: | Coquelle, N, Knez, D, Colletier, J.P, Gobec, S. | | Deposit date: | 2016-07-23 | | Release date: | 2016-12-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents.
Bioorg. Med. Chem., 25, 2017
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9DU6
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9DU9
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5LOQ
 | | Structure of coproheme bound HemQ from Listeria monocytogenes | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Putative heme-dependent peroxidase lmo2113, ... | | Authors: | Puehringer, D, Mlynek, G, Hofbauer, S, Djinovic-Carugo, K, Obinger, C. | | Deposit date: | 2016-08-09 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Hydrogen peroxide-mediated conversion of coproheme to heme b by HemQ-lessons from the first crystal structure and kinetic studies.
FEBS J., 283, 2016
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6NVY
 | | Crystal structure of penicillin G acylase from Bacillus thermotolerans | | Descriptor: | CALCIUM ION, GLYCEROL, Penicillin G acylase | | Authors: | Blankenfeldt, W. | | Deposit date: | 2019-02-05 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Appl.Microbiol.Biotechnol., 103, 2019
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9DRE
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8U86
 | | Structural Basis of Human NOX5 Activation | | Descriptor: | DECANE, DODECANE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Cui, C, Jiang, M, Sun, J. | | Deposit date: | 2023-09-15 | | Release date: | 2024-05-01 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis of human NOX5 activation.
Nat Commun, 15, 2024
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9DRD
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8UO4
 | | CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (Class T) | | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Papasergi-Scott, M.M, Skiniotis, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
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5LPA
 | | AadA E87Q in complex with ATP, calcium and dihydrostreptomycin | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Stern, A.L, Van der Verren, S.E, Selmer, M. | | Deposit date: | 2016-08-12 | | Release date: | 2018-01-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
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