8CA9
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9AUK
| Structure of SARS-CoV-2 Mpro mutant (A173V) in complex with Nirmatrelvir (PF-07321332) | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Gajiwala, K.S, Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2024-02-29 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | In vitro selection and analysis of SARS-CoV-2 nirmatrelvir resistance mutations contributing to clinical virus resistance surveillance. Sci Adv, 10, 2024
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8VHX
| Cryo-EM of neck of bacteriophage Chi | Descriptor: | Neck 1, Neck 2, Portal, ... | Authors: | Sonani, R.R, Esteves, N.C, Scharf, B.E, Egelman, E.H. | Deposit date: | 2024-01-02 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of flagellotropic bacteriophage Chi. Structure, 32, 2024
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8CAD
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8VJA
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8BY4
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8VJI
| Cryo-EM of capsid of bacteriophage Chi | Descriptor: | Decorator protein D, Major capsid protein | Authors: | Sonani, R.R, Esteves, N.C, Scharf, B.E, Egelman, E.H. | Deposit date: | 2024-01-06 | Release date: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structure of flagellotropic bacteriophage Chi. Structure, 32, 2024
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9BXR
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8XBU
| The cryo-EM structure of the decameric 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 (4.24 Å) | Cite: | Cryo-EM structures of RAD51 assembled on nucleosomes containing a DSB site. Nature, 628, 2024
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8TAU
| APC/C-CDH1-UBE2C-UBE2S-Ubiquitin-CyclinB | Descriptor: | Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ... | Authors: | Bodrug, T, Welsh, K.A, Bolhuis, D.L, Paulakonis, E, Martinez-Chacin, R.C, Liu, B, Pinkin, N, Bonacci, T, Cui, L, Xu, P, Roscow, O, Amann, S.J, Grishkovskaya, I, Emanuele, M.J, Harrison, J.S, Steimel, J.P, Hahn, K.M, Zhang, W, Zhong, E, Haselbach, D, Brown, N.G. | Deposit date: | 2023-06-27 | Release date: | 2023-09-27 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Time-resolved cryo-EM (TR-EM) analysis of substrate polyubiquitination by the RING E3 anaphase-promoting complex/cyclosome (APC/C). Nat.Struct.Mol.Biol., 30, 2023
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8TB5
| TYK2 JH2 bound to Compound7 | Descriptor: | ACETATE ION, N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Argiriadi, M.A, Van Epps, S.A, Breinlinger, E.C. | Deposit date: | 2023-06-28 | Release date: | 2023-10-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Targeting the Tyrosine Kinase 2 (TYK2) Pseudokinase Domain: Discovery of the Selective TYK2 Inhibitor ABBV-712. J.Med.Chem., 66, 2023
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6QRT
| X-ray radiation dose series on xylose isomerase - 1.38 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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5KX9
| Selective Small Molecule Inhibition of the FMN Riboswitch | Descriptor: | (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ... | Authors: | Fischmann, T.O. | Deposit date: | 2016-07-20 | Release date: | 2016-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch. Rna Biol., 13, 2016
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8OKA
| Human Mitochondrial Lon Y394F Mutant ADP Bound | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | Authors: | Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E. | Deposit date: | 2023-03-28 | Release date: | 2024-04-10 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.89 Å) | Cite: | Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions. Sci Rep, 14, 2024
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8OMZ
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5I73
| X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central and allosteric sites | Descriptor: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOHEXANOIC ACID, ... | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | Deposit date: | 2016-02-16 | Release date: | 2016-04-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | X-ray structures and mechanism of the human serotonin transporter. Nature, 532, 2016
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6Y9N
| Crystal structure of Whirlin PDZ3_C-ter in complex with Myosin 15a C-terminal PDZ binding motif peptide | Descriptor: | Unconventional myosin-XV, Whirlin | Authors: | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | Deposit date: | 2020-03-10 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners. J.Mol.Biol., 432, 2020
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6Y9O
| Crystal structure of Whirlin PDZ3_C-ter in complex with CASK internal PDZ binding motif peptide | Descriptor: | Peripheral plasma membrane protein CASK, Whirlin | Authors: | Zhu, Y, Delhommel, F, Haouz, A, Caillet-Saguy, C, Vaney, M, Mechaly, A.E, Wolff, N. | Deposit date: | 2020-03-10 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.632 Å) | Cite: | Deciphering the Unexpected Binding Capacity of the Third PDZ Domain of Whirlin to Various Cochlear Hair Cell Partners. J.Mol.Biol., 432, 2020
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9BXO
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8P6U
| Human carbonic anhydrase II containing 5-fluorotryptophanes | Descriptor: | BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | Deposit date: | 2023-05-30 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact. Protein Sci., 33, 2024
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6GVI
| Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | Descriptor: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6NVR
| Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in Apo form | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V.M, Blundell, T.L. | Deposit date: | 2019-02-05 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.562 Å) | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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5KOH
| Nitrogenase MoFeP from Gluconacetobacter diazotrophicus in dithionite reduced state | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | Authors: | Owens, C.P, Tezcan, F.A. | Deposit date: | 2016-06-30 | Release date: | 2016-09-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer. J.Am.Chem.Soc., 138, 2016
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6GXH
| The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD 0MS after reaction initiation | Descriptor: | Fluoroacetate dehalogenase | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | Deposit date: | 2018-06-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nat. Methods, 15, 2018
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9BXI
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