7K27
| Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR inhibitor AZ20 | Descriptor: | 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, DIMETHYL SULFOXIDE, ... | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2020-09-08 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
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7K0U
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7K0D
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7K03
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7K6F
| Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Karim, M.R, Bikowitz, M.J, Schonbrunn, E. | Deposit date: | 2020-09-20 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
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7K1P
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7K42
| Crystal structure of the second bromodomain (BD2) of human TAF1 bound to dioxane | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, SULFATE ION, ... | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2020-09-14 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
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7K3O
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7L6X
| Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to GNE-371 | Descriptor: | 1,2-ETHANEDIOL, 6-(but-3-en-1-yl)-4-[1-methyl-6-(morpholine-4-carbonyl)-1H-benzimidazol-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit 1 | Authors: | Karim, M.R, Schonbrunn, E. | Deposit date: | 2020-12-24 | Release date: | 2021-06-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
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6B5Q
| DCN1 bound to 38 | Descriptor: | DCN1-like protein 1, Peptidomimetic Inhibitors DI-591, TRIETHYLENE GLYCOL | Authors: | Stuckey, J. | Deposit date: | 2017-09-29 | Release date: | 2018-02-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | High-Affinity Peptidomimetic Inhibitors of the DCN1-UBC12 Protein-Protein Interaction. J. Med. Chem., 61, 2018
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5X73
| The crystal Structure PDE delta in complex with R-p9 | Descriptor: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors J. Med. Chem., 60, 2017
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5X72
| The crystal Structure PDE delta in complex with (rac)-p9 | Descriptor: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors J. Med. Chem., 60, 2017
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7XDK
| Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ... | Authors: | Liu, Z, Lui, S, Gao, Y. | Deposit date: | 2022-03-27 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDB
| Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ... | Authors: | Liu, Z, Liu, S, Gao, Y.Z. | Deposit date: | 2022-03-26 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDL
| Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7125 fab, ... | Authors: | Liu, Z, Liu, S, Yuanzhu, G. | Deposit date: | 2022-03-27 | Release date: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5. Cell Discov, 9, 2023
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7XDA
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7XCZ
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5ZBZ
| Crystal structure of the DEAD domain of Human eIF4A with sanguinarine | Descriptor: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, Eukaryotic initiation factor 4A-I, MALONATE ION | Authors: | Ding, Y, Ding, L. | Deposit date: | 2018-02-14 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.30860257 Å) | Cite: | Targeting the N Terminus of eIF4AI for Inhibition of Its Catalytic Recycling. Cell Chem Biol, 26, 2019
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7ELG
| LC3B modificated with a covalent probe | Descriptor: | 2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione, Microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION | Authors: | Fan, S, Wan, W. | Deposit date: | 2021-04-10 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Inhibition of Autophagy by a Small Molecule through Covalent Modification of the LC3 Protein. Angew.Chem.Int.Ed.Engl., 60, 2021
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6MTA
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6MS9
| GDP-bound KRAS P34R mutant | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Bera, A.K, Westover, K.D. | Deposit date: | 2018-10-16 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | GTP hydrolysis is modulated by Arg34 in the RASopathy-associated KRASP34R. Birth Defects Res, 112, 2020
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3G3E
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5UFI
| DCN1 bound to DI-591 | Descriptor: | DCN1-like protein 1, N-[(1S)-1-cyclohexyl-2-{[3-(morpholin-4-yl)propanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | Authors: | Stuckey, J. | Deposit date: | 2017-01-04 | Release date: | 2017-11-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | A potent small-molecule inhibitor of the DCN1-UBC12 interaction that selectively blocks cullin 3 neddylation. Nat Commun, 8, 2017
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1EL3
| HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR | Descriptor: | ALDOSE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE | Authors: | Podjarny, A. | Deposit date: | 2000-03-13 | Release date: | 2000-05-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure of human aldose reductase bound to the inhibitor IDD384. Acta Crystallogr.,Sect.D, 56, 2000
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6CF4
| Segment NFGTFS, with familial mutation A315T and phosphorylated threonine, from the low complexity domain of TDP-43, residues 312-317 | Descriptor: | NFGTFS | Authors: | Guenther, E.L, Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2018-02-13 | Release date: | 2018-05-23 | Last modified: | 2021-06-30 | Method: | ELECTRON CRYSTALLOGRAPHY (0.75 Å) | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation. Nat. Struct. Mol. Biol., 25, 2018
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