4N8R
| Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008 | Descriptor: | 5-(2-{(1Z)-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | Authors: | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | Deposit date: | 2013-10-17 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site. Chem.Biol., 21, 2014
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7FEM
| SARS-CoV-2 B.1.1.7 S-ACE2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | Authors: | Wen, Z.L, Zhu, Y, Sun, F. | Deposit date: | 2021-07-21 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha). Cell Discov, 7, 2021
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7FET
| SARS-CoV-2 B.1.1.7 Spike Glycoprotein trimer | 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 | Authors: | Wen, Z.L, Zhu, Y, Sun, F. | Deposit date: | 2021-07-21 | Release date: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha). Cell Discov, 7, 2021
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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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7TEO
| Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle in complex with FUB1 | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ... | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J. | Deposit date: | 2022-01-05 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Yeast PI31 inhibits the proteasome by a direct multisite mechanism. Nat.Struct.Mol.Biol., 29, 2022
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7TEJ
| Cryo-EM structure of the 20S Alpha 3 Deletion proteasome core particle | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-4, ... | Authors: | Walsh Jr, R.M, Rawson, S, Schnell, H.M, Hanna, J. | Deposit date: | 2022-01-05 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Yeast PI31 inhibits the proteasome by a direct multisite mechanism. Nat.Struct.Mol.Biol., 29, 2022
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6ZHC
| PROTAC6 mediated complex of VHL:EloB:EloC and Bcl-xL | Descriptor: | 1,2-ETHANEDIOL, 2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[3-[4-[3-[2-[2-[2-[2-[2-[3-[[(2~{S})-3,3-dimethyl-1-[(2~{S},4~{R})-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ynyl]phenoxy]propyl]-1,3-thiazole-4-carboxylic acid, Bcl-2-like protein 1, ... | Authors: | Chung, C. | Deposit date: | 2020-06-22 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural Insights into PROTAC-Mediated Degradation of Bcl-xL. Acs Chem.Biol., 15, 2020
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5J3F
| NMR solution structure of [Rp, Rp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
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5J3G
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5J3I
| NMR solution structure of [Sp, Sp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
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5IZ9
| Protein-protein interaction | Descriptor: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | Deposit date: | 2016-03-25 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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5IZ8
| Protein-protein interaction | Descriptor: | ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | Deposit date: | 2016-03-25 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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5IZ6
| Protein-protein interaction | Descriptor: | Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ... | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | Deposit date: | 2016-03-25 | Release date: | 2017-07-05 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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5IZA
| Protein-protein interaction | Descriptor: | ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-NH2, Adenomatous polyposis coli protein | Authors: | Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J. | Deposit date: | 2016-03-25 | Release date: | 2017-07-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration. Nat. Chem. Biol., 13, 2017
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4JA8
| Complex of Mitochondrial Isocitrate Dehydrogenase R140Q Mutant with AGI-6780 Inhibitor | Descriptor: | 1-[5-(cyclopropylsulfamoyl)-2-thiophen-3-yl-phenyl]-3-[3-(trifluoromethyl)phenyl]urea, CALCIUM ION, GLYCEROL, ... | Authors: | Wei, W, Chen, L, Wu, M, Jiang, F, Travins, J, Qian, K, DeLaBarre, B. | Deposit date: | 2013-02-18 | Release date: | 2013-04-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Targeted inhibition of mutant IDH2 in leukemia cells induces cellular differentiation. Science, 340, 2013
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1MOL
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8V81
| Phosphorylated, ATP-bound, inhibitor 172-bound E1371Q human cystic fibrosis transmembrane conductance regulator | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gao, X, Hwang, T. | Deposit date: | 2023-12-04 | Release date: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Allosteric inhibition of CFTR gating by CFTRinh-172 binding in the pore Nat Commun, 2024
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8V7Z
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4FVT
| Human SIRT3 bound to Ac-ACS peptide and Carba-NAD | Descriptor: | Acetylated ACS2 peptide, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... | Authors: | Dai, H. | Deposit date: | 2012-06-29 | Release date: | 2012-08-15 | Last modified: | 2012-09-19 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5. J.Org.Chem., 77, 2012
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4G1C
| Human SIRT5 bound to Succ-IDH2 and Carba-NAD | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-dependent protein deacylase sirtuin-5, mitochondrial, ... | Authors: | Dai, H. | Deposit date: | 2012-07-10 | Release date: | 2012-08-15 | Last modified: | 2012-09-19 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5. J.Org.Chem., 77, 2012
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4G1N
| PKM2 in complex with an activator | Descriptor: | MAGNESIUM ION, N-(4-{[4-(pyrazin-2-yl)piperazin-1-yl]carbonyl}phenyl)quinoline-8-sulfonamide, OXALATE ION, ... | Authors: | Kung, C, Hixon, J, Dang, L, DeLaBarre, B, Qian, K.C. | Deposit date: | 2012-07-10 | Release date: | 2012-10-10 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Small Molecule Activation of PKM2 in Cancer Cells Induces Serine Auxotrophy. Chem.Biol., 19, 2012
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7Y0V
| The co-crystal structure of BA.1-RBD with Fab-5549 | Descriptor: | 5549-Fab, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Xiao, J.Y, Zhang, Y. | Deposit date: | 2022-06-06 | Release date: | 2022-09-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents. Cell Rep, 41, 2022
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7Y0C
| Crystal structure of BD55-1403 and SARS-CoV-2 Omicron RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-1403 Fab heavy chain, BD55-1403 Fab light chain, ... | Authors: | Zhang, Z, Xiao, J. | Deposit date: | 2022-06-04 | Release date: | 2022-09-28 | Last modified: | 2023-04-12 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents. Cell Rep, 41, 2022
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6WCZ
| CryoEM structure of full-length ZIKV NS5-hSTAT2 complex | Descriptor: | Non-structural protein 5, Signal transducer and activator of transcription 2, ZINC ION | Authors: | Boxiao, W, Stephanie, T, Kang, Z, Maria, T.S, Jian, F, Jiuwei, L, Linfeng, G, Wendan, R, Yanxiang, C, Ethan, C.V, HeaJin, H, Matthew, J.E, Sean, E.O, Adolfo, G.S, Hong, Z, Rong, H, Jikui, S. | Deposit date: | 2020-03-31 | Release date: | 2020-07-08 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural basis for STAT2 suppression by flavivirus NS5. Nat.Struct.Mol.Biol., 27, 2020
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6K9H
| Human LXR-beta in complex with an agonist | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | Authors: | Zhang, Z, Zhou, H. | Deposit date: | 2019-06-15 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors. Eur.J.Med.Chem., 194, 2020
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