9EMC
 
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9D8A
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8YKU
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9EPW
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC3336 | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]ethanamine | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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9ESA
 | | Aurora-C with SER mutation in complex with INCENP peptide | | Descriptor: | 1,2-ETHANEDIOL, Aurora kinase C, Inner centromere protein | | Authors: | Hillig, R.C. | | Deposit date: | 2024-03-26 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Surface-mutagenesis strategies to enable structural biology crystallization platforms.
Acta Crystallogr D Struct Biol, 80, 2024
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8Y6Q
 | | Structure of the Dark/Dronc complex | | Descriptor: | Apaf-1 related killer DARK, Caspase Dronc | | Authors: | Tian, L, Li, Y, Shi, Y. | | Deposit date: | 2024-02-03 | | Release date: | 2024-08-07 | | Method: | ELECTRON MICROSCOPY (7 Å) | | Cite: | Dark and Dronc activation in Drosophila melanogaster.
Proc.Natl.Acad.Sci.USA, 121, 2024
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4USS
 | | Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione | | Descriptor: | GLUTATHIONE, GLUTATHIONYL HYDROQUINONE REDUCTASE, PHOSPHATE ION | | Authors: | Lallement, P.A, Meux, E, Gualberto, J.M, Dumaracay, S, Favier, F, Didierjean, C, Saul, F, Haouz, A, Morel-Rouhier, M, Gelhaye, E, Rouhier, N, Hecker, A. | | Deposit date: | 2014-07-13 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Glutathionyl-Hydroquinone Reductases from Poplar are Plastidial Proteins that Deglutathionylate Both Reduced and Oxidized Glutathionylated Quinones.
FEBS Lett., 589, 2015
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9EPV
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGC333 | | Descriptor: | 1,2-ETHANEDIOL, 5-[[2-[(3-chloranyl-4-phenyl-phenyl)methylamino]-7-azaspiro[3.5]nonan-7-yl]sulfonyl]-1,3-dimethyl-benzimidazol-2-one, Casein kinase II subunit alpha, ... | | Authors: | Kraemer, A, Greco, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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8ZYN
 | | Cryo-EM Structure of inhibitor-free hERG Channel | | Descriptor: | Potassium voltage-gated channel subfamily H member 2 | | Authors: | Miyashita, Y, Moriya, T, Kato, T, Kawasaki, M, Yasuda, Y, Adachi, N, Suzuki, K, Ogasawara, S, Saito, T, Senda, T, Murata, T. | | Deposit date: | 2024-06-18 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Improved higher resolution Cryo-EM structures reveal the binding modes of hERG Channel Inhibitors
To Be Published
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9EZ3
 | | Crystal structure of human CLK3 bound to RN129 | | Descriptor: | 1-(5-~{tert}-butyl-2-quinolin-6-yl-pyrazol-3-yl)-3-[3-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]urea, Dual specificity protein kinase CLK3, SULFATE ION | | Authors: | Kraemer, A, Raig, N, Knapp, S. | | Deposit date: | 2024-04-10 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of human CLK3 bound to RN129
To Be Published
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8ZSZ
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9F7H
 | | UP1 in complex with Z45617795 | | Descriptor: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, N-(2-phenylethyl)methanesulfonamide | | Authors: | Dunnett, L, Prischi, F. | | Deposit date: | 2024-05-03 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening
To Be Published
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8Y3W
 | | The Cryo-EM structure of anti-phage defense associated DSR2 tetramer bound with two DSAD1 inhibitors (same side) | | Descriptor: | DSR anti-defence 1, SIR2-like domain-containing protein | | Authors: | Wang, R.W, Xu, Q, Wu, Z.X, Li, J.L, Shi, Z.B, Li, F.X. | | Deposit date: | 2024-01-29 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024
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9F1J
 | | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[2-[2-[2-[2-[2-[2-[2,6-bis(oxidanylidene)piperidin-3-yl]-1,3-bis(oxidanylidene)isoindol-4-yl]oxyethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-4-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]butanamide | | Authors: | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-19 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.13003039 Å) | | Cite: | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 14
to be published
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9F1N
 | | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46 | | Descriptor: | (2S,4R)-1-[(2S)-2-[9-[2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanoylamino]nonanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-4H-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-19 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.71000016 Å) | | Cite: | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46
to be published
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9AZI
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8Z8R
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8ZYQ
 | | Cryo-EM Structure of pimozide-bound hERG Channel | | Descriptor: | 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one, Potassium voltage-gated channel subfamily H member 2 | | Authors: | Miyashita, Y, Moriya, T, Kato, T, Kawasaki, M, Yasuda, Y, Adachi, N, Suzuki, K, Ogasawara, S, Saito, T, Senda, T, Murata, T. | | Deposit date: | 2024-06-18 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Improved higher resolution Cryo-EM structures reveal the binding modes of hERG Channel Inhibitors
To Be Published
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9F1S
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9B0C
 | | Crystal structure of GenB2 in complex with gentamicin X2. | | Descriptor: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 6'-epimerase, ... | | Authors: | Bury, P.S, Araujo, N.C, Oliveira, G.S, Dias, M.V.B. | | Deposit date: | 2024-03-11 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural and Functional Basis of GenB2 Isomerase Activity from Gentamicin Biosynthesis.
Acs Chem.Biol., 2024
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9CBK
 | | Crystal Structure of Danio rerio Histone Deacetylase 6 in Complex with p-Aminomethyl Phenylthioketone | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(aminomethyl)phenyl]-2-sulfanylethan-1-one, Hdac6 protein, ... | | Authors: | Goulart Stollmaier, J, Watson, P.R, Christianson, D.W. | | Deposit date: | 2024-06-19 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Design, Synthesis, and Structural Evaluation of Acetylated Phenylthioketone Inhibitors of HDAC10
To be Published
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8ZBA
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9EQ0
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with allosteric ligand FGJG12 | | Descriptor: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[4-[(3-chloranyl-4-phenyl-phenyl)methylamino]butyl]isoquinoline-5-sulfonamide | | Authors: | Kraemer, A, Greco, F, Gerninghaus, J, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-03-20 | | Release date: | 2024-05-01 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Synthesis and evaluation of chemical linchpins for highly selective CK2 alpha targeting.
Eur.J.Med.Chem., 276, 2024
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8YD3
 | | Crystal structure of human Cu-Zn Superoxide Dismutase 1 in complex with 1,2,10-Decanetriol | | Descriptor: | (2S)-decane-1,2,10-triol, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | | Authors: | Aouti, S, Padmanabhan, B. | | Deposit date: | 2024-02-19 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of human Cu-Zn Superoxide Dismutase 1 in complex with 1,2,10-Decanetriol
To Be Published
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9BKY
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