8QVE
 
 | | C-glucosyl oxidoreductase (DaCGO1) from Deinococcus aerius | | Descriptor: | ACETATE ION, CADMIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C. | | Deposit date: | 2023-10-17 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius.
J.Mol.Biol., 436, 2024
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8QVC
 | | Deinococcus aerius TR0125 C-glucosyl deglycosidase (CGD), wild type crystal cryoprotected with glycerol | | Descriptor: | CADMIUM ION, DUF6379 domain-containing protein, Xylose isomerase-like TIM barrel domain-containing protein | | Authors: | Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C. | | Deposit date: | 2023-10-17 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius.
J.Mol.Biol., 436, 2024
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6BWZ
 | | SYSGYS from low-complexity domain of FUS, residues 37-42 | | Descriptor: | SYSGYS peptide from low-complexity domain of FUS | | Authors: | Hughes, M.P, Rodriguez, J.A, Sawaya, M.R, Cascio, D, Tamir, G, Eisenberg, D.S. | | Deposit date: | 2017-12-15 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic structures of low-complexity protein segments reveal kinked beta sheets that assemble networks.
Science, 359, 2018
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8QVD
 | | Deinococcus aerius TR0125 C-glucosyl deglycosidase (CGD), wild type crystal cryoprotected with glycerol | | Descriptor: | CADMIUM ION, DUF6379 domain-containing protein, Xylose isomerase-like TIM barrel domain-containing protein | | Authors: | Furlanetto, V, Kalyani, D.C, Kostelac, A, Haltrich, D, Hallberg, B.M, Divne, C. | | Deposit date: | 2023-10-17 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural and Functional Characterization of a Gene Cluster Responsible for Deglycosylation of C-glucosyl Flavonoids and Xanthonoids by Deinococcus aerius.
J.Mol.Biol., 436, 2024
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6WPE
 | | HUMAN IDO1 IN COMPLEX WITH COMPOUND 4 | | Descriptor: | 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1 | | Authors: | Lesburg, C.A, Lammens, A. | | Deposit date: | 2020-04-27 | | Release date: | 2021-03-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
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6FSJ
 | | Crystal structure of TCE-treated Lysozyme | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Lysozyme C | | Authors: | Pichlo, C, Baumann, U. | | Deposit date: | 2018-02-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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7ANW
 | | hSARM1 NAD+ complex | | Descriptor: | NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Sporny, M, Guez-Haddad, J, Khazma, T, Yaron, A, Mim, C, Isupov, M.N, Zalk, R, Dessau, M, Hons, M, Opatowsky, Y. | | Deposit date: | 2020-10-13 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Structural basis for SARM1 inhibition and activation under energetic stress.
Elife, 9, 2020
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7AS7
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8EIQ
 | | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with Trikafta [elexacaftor (VX-445), tezacaftor (VX-661), ivacaftor (VX-770)] and ATP/Mg | | Descriptor: | (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | Authors: | Fiedorczuk, K, Chen, J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
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8EIG
 | | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445) and ATP/Mg | | Descriptor: | (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | Authors: | Fiedorczuk, K, Chen, J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
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8EIO
 | | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445), lumacaftor (VX-809) and ATP/Mg | | Descriptor: | (6P)-N-(1,3-dimethyl-1H-pyrazole-4-sulfonyl)-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, ... | | Authors: | Fiedorczuk, K, Chen, J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Molecular structures reveal synergistic rescue of Delta 508 CFTR by Trikafta modulators.
Science, 378, 2022
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6HXY
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6GP3
 | | Ribonucleotide Reductase class Ie R2 from Mesoplasma florum, inactive form | | Descriptor: | CALCIUM ION, Ribonucleoside-diphosphate reductase beta chain | | Authors: | Srinivas, V, Lebrette, H, Lundin, D, Kutin, Y, Sahlin, M, Lerche, M, Enrich, J, Branca, R.M.M, Cox, N, Sjoberg, B.M, Hogbom, M. | | Deposit date: | 2018-06-05 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Metal-free ribonucleotide reduction powered by a DOPA radical in Mycoplasma pathogens.
Nature, 563, 2018
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6HAJ
 | | Crystal structure of PAF - p-sulfonatocalix[8]arene complex | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Pc24g00380 protein, sulfonato-calix[8]arene | | Authors: | Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B. | | Deposit date: | 2018-08-07 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Calixarene-mediated assembly of a small antifungal protein.
Iucrj, 6, 2019
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6VR3
 | | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-netilmicin and CoA | | Descriptor: | Aminoglycoside 2'-N-acetyltransferase, COENZYME A, N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide | | Authors: | Bassenden, A.V, Berghuis, A.M. | | Deposit date: | 2020-02-06 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
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6VR2
 | | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-tobramycin and CoA | | Descriptor: | (1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-D-glucopyranoside, ACETATE ION, Aminoglycoside 2'-N-acetyltransferase, ... | | Authors: | Bassenden, A.V, Berghuis, A.M. | | Deposit date: | 2020-02-06 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
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6VTA
 | | Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with amikacin and acetyl-CoA | | Descriptor: | (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, ACETYL COENZYME *A, Aminoglycoside 2'-N-acetyltransferase | | Authors: | Bassenden, A.V, Berghuis, A.M. | | Deposit date: | 2020-02-12 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
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6HT5
 | | Oct4/Sox2:UTF1 structure | | Descriptor: | DNA (5'-D(*TP*TP*CP*AP*CP*TP*AP*GP*CP*AP*TP*AP*AP*CP*AP*AP*TP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*CP*TP*CP*AP*TP*TP*GP*TP*TP*AP*TP*GP*CP*TP*AP*GP*TP*GP*AP*AP*G)-3'), POU domain, ... | | Authors: | Vahokoski, J, Meusch, D, Groves, M, Pogenberg, V, Wilmanns, M. | | Deposit date: | 2018-10-03 | | Release date: | 2019-10-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.451 Å) | | Cite: | Oct4/Sox2:UTF1 structure
To Be Published
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8S9K
 | | Structure of dimeric FAM111A SPD S541A Mutant | | Descriptor: | GLYCEROL, Serine protease FAM111A | | Authors: | Palani, S, Alvey, J.A, Cong, A.T.Q, Schellenberg, M.J, Machida, Y. | | Deposit date: | 2023-03-29 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Dimerization-dependent serine protease activity of FAM111A prevents replication fork stalling at topoisomerase 1 cleavage complexes.
Nat Commun, 15, 2024
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8Q9X
 | | The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum with molecular oxygen at 1.05 A resolution | | Descriptor: | COPPER (II) ION, GLYCEROL, OXYGEN MOLECULE, ... | | Authors: | Varfolomeeva, L.A, Polyakov, K.M, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2023-08-22 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum at atomic resolution
To Be Published
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8Q9Y
 | | The structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum in complex with inhibitor thiourea at 1.10 A resolution | | Descriptor: | COPPER (II) ION, GLYCEROL, THIOUREA, ... | | Authors: | Varfolomeeva, L.A, Polyakov, K.M, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2023-08-22 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structure of thiocyanate dehydrogenase from Pelomicrobium methylotrophicum at atomic resolution
To Be Published
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8ELD
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7AHD
 | | OpuA (E190Q) occluded | | Descriptor: | ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
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8EM6
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6OV7
 | | CFTR Associated Ligand (CAL) PDZ domain bound to peptide kCAL01 | | Descriptor: | Golgi-associated PDZ and coiled-coil motif-containing protein, kCAL01 peptide | | Authors: | Gill, N.P, Madden, D.R. | | Deposit date: | 2019-05-07 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Computational Analysis of Energy Landscapes Reveals Dynamic Features That Contribute to Binding of Inhibitors to CFTR-Associated Ligand.
J.Phys.Chem.B, 123, 2019
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