9BKP
 
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7SKR
 | | BtSCoV-Rf1.2004 Papain-Like protease bound to the non-covalent inhibitor 37 | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide, ... | | Authors: | Durie, I, Shepard, J, Freitas, B, O'Boyle, B, Enos, S, Pegan, S.D. | | Deposit date: | 2021-10-21 | | Release date: | 2022-03-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Exploring Noncovalent Protease Inhibitors for the Treatment of Severe Acute Respiratory Syndrome and Severe Acute Respiratory Syndrome-Like Coronaviruses.
Acs Infect Dis., 8, 2022
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6ULX
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9BKT
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9FGP
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8WM4
 | | Cryo-EM structure of DiCas7-11 in complex with crRNA | | Descriptor: | CRISPR-associated RAMP family protein, ZINC ION, crRNA (38-MER) | | Authors: | Ma, H.Y, Tang, X.D. | | Deposit date: | 2023-10-02 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural basis of negative regulation of CRISPR-Cas7-11 by TPR-CHAT.
Signal Transduct Target Ther, 9, 2024
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8Z1E
 | | A homotrimeric GPCR architecture of the human cytomegalovirus (UL78) revealed by cryo-EM | | Descriptor: | Uncharacterized protein UL78 | | Authors: | Chen, Y, Li, Y, Zhou, Q, Cong, Z, Lin, S, Yan, J, Chen, X, Yang, D, Ying, T, Wang, M.-W. | | Deposit date: | 2024-04-11 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | A homotrimeric GPCR architecture of the human cytomegalovirus revealed by cryo-EM.
Cell Discov, 10, 2024
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8WML
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8X2W
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8WQO
 | | Crystal structure of BRD4-BD1 bound with DI106 | | Descriptor: | (3~{R})-6-[[4-(3,5-dimethyl-1~{H}-pyrazol-4-yl)pyrimidin-2-yl]amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Isoform C of Bromodomain-containing protein 4 | | Authors: | Cao, D, Xiong, B. | | Deposit date: | 2023-10-12 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Rational design and evaluation of BET-Aurora A dual-inhibitors for treatment of cancers
To Be Published
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6O4C
 | | Structure of ALDH7A1 mutant W175A complexed with NAD | | Descriptor: | 1,2-ETHANEDIOL, Alpha-aminoadipic semialdehyde dehydrogenase, CHLORIDE ION, ... | | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | | Deposit date: | 2019-02-28 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1.
Febs J., 287, 2020
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9BKG
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8ZX6
 | | Heparin bound Tau fibril PHF | | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Tao, Y.Q, Liu, C, Li, D. | | Deposit date: | 2024-06-13 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Heparin bound Tau fibril PHF
To Be Published
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7S1P
 | | PRMT5/MEP50 crystal structure with sinefungin bound | | Descriptor: | Methylosome protein 50, Protein arginine N-methyltransferase 5, SINEFUNGIN | | Authors: | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. | | Deposit date: | 2021-09-02 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Fragment-Based Discovery of MRTX1719, a Synthetic Lethal Inhibitor of the PRMT5•MTA Complex for the Treatment of MTAP -Deleted Cancers.
J.Med.Chem., 65, 2022
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8WMC
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6TXZ
 | | FAB PART OF M6903 IN COMPLEX WITH HUMAN TIM3 | | Descriptor: | Fab H, Fab L, Hepatitis A virus cellular receptor 2 | | Authors: | Musil, D, Sood, V. | | Deposit date: | 2020-01-15 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Identification and characterization of M6903, an antagonistic anti-TIM-3 monoclonal antibody.
Oncoimmunology, 9, 2020
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7ON7
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8X43
 | | human KCNQ2-CaM-Ebio1-S1 complex in the presence of PIP2 | | Descriptor: | Calmodulin-1, N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | | Authors: | Ma, D, Guo, J. | | Deposit date: | 2023-11-15 | | Release date: | 2024-01-17 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel.
Nat.Chem.Biol., 20, 2024
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9FXP
 | | Crystal structure of BRD4 BD1 with DI00626383. | | Descriptor: | 4-methoxy-1,2-benzoxazol-3-amine, Bromodomain-containing protein 4 | | Authors: | Bader, G, Reinert, D. | | Deposit date: | 2024-07-02 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Probing Protein-Ligand Methyl-pi Interaction Geometries through Chemical Shift Measurements of Selectively Labeled Methyl Groups.
J.Med.Chem., 67, 2024
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4WM9
 | | Acinetobacter baumanii OXA-24 complex with Avibactam | | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Mangani, S, Benvenuti, M, Docquier, J.-D. | | Deposit date: | 2014-10-08 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular Basis of Selective Inhibition and Slow Reversibility of Avibactam against Class D Carbapenemases: A Structure-Guided Study of OXA-24 and OXA-48.
Acs Chem.Biol., 10, 2015
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7ON6
 | | Crystal structure of the computationally designed SAKe6AE protein | | Descriptor: | SAKe6AE, SULFATE ION | | Authors: | Wouters, S.M.L, Noguchi, H, Clarke, D.E, Voet, A.R.D, De Feyter, S. | | Deposit date: | 2021-05-25 | | Release date: | 2022-12-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
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7OPV
 | | Crystal structure of the computationally designed SAKe6BE-3HH protein, alternative packing | | Descriptor: | SAKe6BE-3HH | | Authors: | Wouters, S.M.L, Noguchi, H, Clarke, D.E, Voet, A.R.D, De Feyter, S. | | Deposit date: | 2021-06-01 | | Release date: | 2022-12-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
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9BOK
 | | Crystal structure of reduced bovine trypsin, 50mM DTT-treated | | Descriptor: | BENZAMIDINE, Cationic trypsin | | Authors: | Zhou, D, Chen, L, Rose, J.P, Wang, B.C. | | Deposit date: | 2024-05-03 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of reduced bovine trypsin, 50mM DTT-treated
To Be Published
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6RNF
 | | Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 30 ms timepoint | | Descriptor: | MAGNESIUM ION, Xylose isomerase, alpha-D-glucopyranose | | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | | Deposit date: | 2019-05-08 | | Release date: | 2019-10-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
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9B12
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