8XBT
| The cryo-EM structure of the octameric RAD51 ring bound to the nucleosome with the linker DNA binding | Descriptor: | DNA (153-MER), DNA (156-MER), DNA repair protein RAD51 homolog 1, ... | Authors: | Shioi, T, Hatazawa, S, Ogasawara, M, Takizawa, Y, Kurumizaka, H. | Deposit date: | 2023-12-07 | Release date: | 2024-03-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4.12 Å) | Cite: | Cryo-EM structures of RAD51 assembled on nucleosomes containing a DSB site. Nature, 628, 2024
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9J4G
| Crystal structure of SHMT from E. faecium with (+)-SHIN-2 | Descriptor: | (+)-SHIN-2, Serine hydroxymethyltransferase, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE | Authors: | Hayashi, H, Murayama, K. | Deposit date: | 2024-08-09 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | SHIN-2 exerts potent activity against VanA-type vancomycin-resistant Enterococcus faecium in vitro by stabilizing the active site loop of serine hydroxymethyltransferase. Arch.Biochem.Biophys., 761, 2024
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6QRU
| X-ray radiation dose series on xylose isomerase - 2.01 MGy | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | Deposit date: | 2019-02-19 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
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9DAM
| A DARPin fused to the 1TEL crystallization chaperone via a direct helical fusion | Descriptor: | ACETIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E.W, Nickles, R, Doukov, T, Moody, J.D. | Deposit date: | 2024-08-22 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent To Be Published
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9F3E
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7PFM
| A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution | Descriptor: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab | Authors: | Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J. | Deposit date: | 2021-08-11 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published
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8CJ2
| Urea-based foldamer inhibitor c3u_5 chimera in complex with ASF1 histone chaperone | Descriptor: | GLYCEROL, Histone chaperone ASF1A, SULFATE ION, ... | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | Deposit date: | 2023-02-11 | Release date: | 2023-07-05 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.127 Å) | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.), 59, 2023
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8CJ1
| Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone | Descriptor: | Histone chaperone ASF1A, c3u_3 chimera inhibitor of histone chaperone ASF1 | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | Deposit date: | 2023-02-11 | Release date: | 2023-07-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.564 Å) | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach. Chem.Commun.(Camb.), 59, 2023
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9BIK
| Crystal structure of inhibitor 1 bound to HPK1 | Descriptor: | (1S,2S)-N-[(6P)-8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Kiefer, J.T, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Siu, M, Heffron, T.P, Choo, E.F. | Deposit date: | 2024-04-23 | Release date: | 2024-10-02 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1. Acs Med.Chem.Lett., 15, 2024
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9F1C
| Mammalian quaternary complex of a translating 80S ribosome, NAC, MetAP1 and NatA/E | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | Authors: | Yudin, D, Scaiola, A, Ban, N. | Deposit date: | 2024-04-18 | Release date: | 2024-08-21 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | NAC guides a ribosomal multienzyme complex for nascent protein processing. Nature, 633, 2024
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7STI
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9DJ9
| HUMAN VH1-RELATED DUAL-SPECIFICITY PHOSPHATASE (VHR) in distinct apo form | Descriptor: | Dual specificity protein phosphatase 3 | Authors: | Keedy, D.A, Lemberikman, A.M, Isiorho, E.A, Aleshin, A.E, Wu, J, Lambert, L.J, Cosford, N.D.P, Tautz, L. | Deposit date: | 2024-09-06 | Release date: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.924 Å) | Cite: | Fragment Screening Platform and Discovery of Novel Fragment Binders of the VHR Phosphatase, a Drug Target for Sepsis and Septic Shock To Be Published
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5L7I
| Structure of human Smoothened in complex with Vismodegib | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ... | Authors: | Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C. | Deposit date: | 2016-06-03 | Release date: | 2016-07-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of Smoothened regulation by its extracellular domains. Nature, 535, 2016
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7STJ
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9FST
| Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor LU-001i | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | Deposit date: | 2024-06-21 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites To Be Published
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4X4C
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8CDQ
| Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S | Descriptor: | 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ... | Authors: | Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A. | Deposit date: | 2023-01-31 | Release date: | 2023-06-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design. Nat Commun, 14, 2023
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9F9Y
| SARS-CoV-2 BA-2.87.1 Spike ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | Authors: | Ren, J, Stuart, D.I, Duyvesteyn, H.M.E. | Deposit date: | 2024-05-09 | Release date: | 2024-08-21 | Last modified: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Concerted deletions eliminate a neutralizing supersite in SARS-CoV-2 BA.2.87.1 spike. Structure, 32, 2024
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9DB5
| A DARPin fused to the 1TEL crystallization chaperone via a proline-alanine linker | Descriptor: | ACETIC ACID, CHLORIDE ION, SODIUM ION, ... | Authors: | Pedroza Romo, M.J, Averett, J.C, Keliiliki, A, Wilson, E.W, Smith, C, Hansen, D, Averett, B, Gonzalez, J, Noakes, E, Nickles, R, Doukov, T, Moody, J.D. | Deposit date: | 2024-08-23 | Release date: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Optimal TELSAM-Target Protein Linker Character is Target Protein Dependent To Be Published
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5L8G
| Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant H65A | Descriptor: | CALCIUM ION, Uncharacterized protein | Authors: | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | Deposit date: | 2016-06-07 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.974 Å) | Cite: | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments. Elife, 5, 2016
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9C2A
| Cryo-EM structure of the human P2X1 receptor in the apo closed state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Oken, A.C, Lisi, N.E, Ditter, I.A, Shi, H, Mansoor, S.E. | Deposit date: | 2024-05-30 | Release date: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Cryo-EM structures of the human P2X1 receptor reveal subtype-specific architecture and antagonism by supramolecular ligand-binding. Nat Commun, 15, 2024
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9C5E
| Covalent Complex Between Parkin Catalytic (Rcat) Domain and Ubiquitin | Descriptor: | E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ZINC ION | Authors: | Connelly, E.M, Rintala-Dempsey, A.C, Gundogdu, M, Freeman, E.A, Koszela, J, Aguirre, J.D, Zhu, G, Kamarainen, O, Tadayon, R, Walden, H, Shaw, G.S. | Deposit date: | 2024-06-06 | Release date: | 2024-08-14 | Last modified: | 2024-10-09 | Method: | SOLUTION NMR | Cite: | Capturing the catalytic intermediates of parkin ubiquitination. Proc.Natl.Acad.Sci.USA, 121, 2024
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9BH5
| High-resolution C. elegans 80S ribosome structure - class 1 | Descriptor: | 18S rRNA, 28S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | Authors: | Sehgal, E, Serrao, V.H.B, Arribere, J. | Deposit date: | 2024-04-19 | Release date: | 2024-09-04 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (2.63 Å) | Cite: | High-Resolution Reconstruction of a C. elegans Ribosome Sheds Light on Evolutionary Dynamics and Tissue Specificity. Rna, 2024
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9C2B
| Cryo-EM structure of the human P2X1 receptor in the ATP-bound desensitized state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Oken, A.C, Lisi, N.E, Ditter, I.A, Shi, H, Mansoor, S.E. | Deposit date: | 2024-05-30 | Release date: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Cryo-EM structures of the human P2X1 receptor reveal subtype-specific architecture and antagonism by supramolecular ligand-binding. Nat Commun, 15, 2024
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8W01
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