8T7W
 
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4V33
 | | Crystal structure of the putative polysaccharide deacetylase BA0330 from bacillus anthracis | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, POLYSACCHARIDE DEACETYLASE-LIKE PROTEIN, ... | | Authors: | Giastas, P, Andreou, A, Bouriotis, V, Eliopoulos, E. | | Deposit date: | 2014-10-16 | | Release date: | 2015-04-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Two Putative Polysaccharide Deacetylases are Required for Osmotic Stability and Cell Shape Maintenance in Bacillus Anthracis.
J.Biol.Chem., 290, 2015
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7OA0
 | | Crystal structure of di-phosphorylated human CLK1 in complex with 5-(6,7-dichloro-1H-indol-3-yl)pyrimidin-4-amine | | Descriptor: | 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine, Dual specificity protein kinase CLK1 | | Authors: | Livnah, O, Domovich, Y, Bracher, F, Aiger, C. | | Deposit date: | 2021-04-18 | | Release date: | 2022-05-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Development of novel CLK1 inhibitors as potential drugs for treatment of Chikungunya virus infections
To Be Published
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4URZ
 | | The crystal structure of H-Ras and SOS in complex with ligands | | Descriptor: | 1-[(4-aminophenyl)sulfonyl]piperidin-2-one, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1 | | Authors: | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | | Deposit date: | 2014-07-02 | | Release date: | 2015-03-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
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4UZH
 | | SAR156497 an exquisitely selective inhibitor of Aurora kinases | | Descriptor: | (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN | | Authors: | Pouzieux, S, Maignan, S, Crenne, J.Y. | | Deposit date: | 2014-09-05 | | Release date: | 2014-11-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
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7OKV
 | | Crystal structure of soluble EPCR after exposure to the nonionic surfactant Polysorbate 20 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ... | | Authors: | Erausquin, E, Dichiara, M.G, Lopez-Sagaseta, J. | | Deposit date: | 2021-05-18 | | Release date: | 2022-07-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification of a broad lipid repertoire associated to the endothelial cell protein C receptor (EPCR).
Sci Rep, 12, 2022
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4WF7
 | | Crystal structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in the intramolecular isomerization catalysis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ... | | Authors: | Wang, Y.L, Chow, S.Y, Lin, Y.T, Hsieh, Y.C, Lee, G.C, Liaw, S.H. | | Deposit date: | 2014-09-13 | | Release date: | 2014-12-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structures of trehalose synthase from Deinococcus radiodurans reveal that a closed conformation is involved in catalysis of the intramolecular isomerization.
Acta Crystallogr.,Sect.D, 70, 2014
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7P35
 | | Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir | | Descriptor: | 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER | | Authors: | Fabrega-Ferrer, M, Perez-Saavedra, J, Herrera-Morande, A, Coll, M. | | Deposit date: | 2021-07-07 | | Release date: | 2021-07-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.256 Å) | | Cite: | Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
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6NFD
 | | beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044 | | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, beta-lactamase SHV-11 | | Authors: | Osipiuk, J, Welk, L, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-12-19 | | Release date: | 2018-12-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | beta-lactamase SHV-11 from Klebsiella pneumoniae strain NTUH-K2044
to be published
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7OO0
 | | Mechanosensitive channel MscS solubilized with DDM in open conformation | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, DODECYL-BETA-D-MALTOSIDE, Mechanosensitive channel MscS | | Authors: | Rasmussen, T, Flegler, V.J, Boettcher, B. | | Deposit date: | 2021-05-26 | | Release date: | 2021-09-01 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mechanosensitive channel gating by delipidation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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4WHU
 | | BROMO domain of CREB binding protein | | Descriptor: | 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, CREB-binding protein | | Authors: | Liu, S. | | Deposit date: | 2014-09-23 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
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7OZ1
 | | Cryo-EM structure of ABCG1 E242Q mutant with ATP and cholesteryl hemisuccinate bound | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Skarda, L, Kowal, J, Locher, K.P. | | Deposit date: | 2021-06-25 | | Release date: | 2021-09-22 | | Last modified: | 2021-09-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of the Human Cholesterol Transporter ABCG1.
J.Mol.Biol., 433, 2021
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4WHH
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4WVA
 | | Crystal structure of GH63 mannosylglycerate hydrolase from Thermus thermophilus HB8 in complex with Tris | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | Authors: | Miyazaki, T, Ichikawa, M, Nishikawa, A, Tonozuka, T. | | Deposit date: | 2014-11-05 | | Release date: | 2015-03-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structure and substrate-binding mode of GH63 mannosylglycerate hydrolase from Thermus thermophilus HB8.
J.Struct.Biol., 190, 2015
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7OSB
 | | Crystal Structure of a Double Mutant PETase (S238F/W159H) from Ideonella sakaiensis | | Descriptor: | CHLORIDE ION, GLYCEROL, Poly(ethylene terephthalate) hydrolase, ... | | Authors: | Shakespeare, T.J, Zahn, M, Allen, M.D, McGeehan, J.E. | | Deposit date: | 2021-06-08 | | Release date: | 2021-10-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Comparative Performance of PETase as a Function of Reaction Conditions, Substrate Properties, and Product Accumulation.
ChemSusChem, 15, 2022
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8YU5
 | | The structure of non-activated thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | Authors: | Varfolomeeva, L.A, Shipkov, N.S, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Popov, V.O. | | Deposit date: | 2024-03-26 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The structure of non-activated thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q)
To Be Published
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4X46
 | | X-RAY structure thymidine phosphorylase from Salmonella typhimurium complex with SO4 at 2.19 A | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Thymidine phosphorylase | | Authors: | Balaev, V.V, Lashkov, A.A, Prokofev, I.I, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2014-12-02 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | X-RAY structure thymidine phosphorylase from Salmonella typhimurium complex with SO4 at 2.19 A
To Be Published
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7P8D
 | | Crystal structure of the Receiver domain of A. thaliana cytokinin receptor AtCRE1 in complex with Mg2+ | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Tran, L.H, Urbanowicz, A, Jasinski, M, Jaskolski, M, Ruszkowski, M. | | Deposit date: | 2021-07-21 | | Release date: | 2021-10-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 3D Domain Swapping Dimerization of the Receiver Domain of Cytokinin Receptor CRE1 From Arabidopsis thaliana and Medicago truncatula .
Front Plant Sci, 12, 2021
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7P8Z
 | | Short wilavidin biotin complex | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, BIOTIN, ... | | Authors: | Avraham, O, Livnah, O. | | Deposit date: | 2021-07-23 | | Release date: | 2021-11-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Wilavidin - a novel member of the avidin family that forms unique biotin-binding hexamers.
Febs J., 289, 2022
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7OU1
 | | Crystal structure of Rhizobium etli inducible L-asparaginase ReAV (monoclinic form MP2) | | Descriptor: | 1,2-ETHANEDIOL, L-asparaginase, ZINC ION | | Authors: | Imiolczyk, B, Loch, J.I, Gilski, M, Jaskolski, M. | | Deposit date: | 2021-06-10 | | Release date: | 2021-11-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of the elusive Rhizobium etli L-asparaginase reveal a peculiar active site.
Nat Commun, 12, 2021
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7OYF
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7OY3
 | | Crystal structure of depupylase Dop in complex with phosphorylated Pup and ADP | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Cui, H. | | Deposit date: | 2021-06-23 | | Release date: | 2021-12-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
Nat Commun, 12, 2021
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4WLD
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4WUW
 | | Crystal Structure of Surfactant Protein-A DED Mutant (E171D/P175E/K203D) Complexed with Inositol | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, Pulmonary surfactant-associated protein A | | Authors: | Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X. | | Deposit date: | 2014-11-03 | | Release date: | 2016-02-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.398 Å) | | Cite: | Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
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4X09
 | | Structure of human RNase 6 in complex with sulphate anions | | Descriptor: | GLYCEROL, Ribonuclease K6, SULFATE ION | | Authors: | Prats-Ejarque, G, Arranz-Trullen, J, Blanco, J.A, Pulido, D, Moussaoui, M, Boix, E. | | Deposit date: | 2014-11-21 | | Release date: | 2016-04-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.722 Å) | | Cite: | The first crystal structure of human RNase 6 reveals a novel substrate-binding and cleavage site arrangement.
Biochem.J., 473, 2016
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