6XHN
 
 | | Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | | Descriptor: | (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase | | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | | Deposit date: | 2020-06-19 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.377 Å) | | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
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8SK6
 | | human liver mitochondrial Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase | | Descriptor: | Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial | | Authors: | Zhang, Z, Tringides, M. | | Deposit date: | 2023-04-18 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
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6XVF
 | | Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
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6XJS
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6XDM
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6XN9
 | | Solution NMR structure of recifin, a cysteine-rich tyrosyl-DNA Phosphodiesterase I modulatory peptide from the marine sponge Axinella sp. | | Descriptor: | Recifin modulatory peptide | | Authors: | Schroeder, C.I, Rosengren, K.J, O'Keefe, B.R. | | Deposit date: | 2020-07-02 | | Release date: | 2021-02-10 | | Method: | SOLUTION NMR | | Cite: | Recifin A, Initial Example of the Tyr-Lock Peptide Structural Family, Is a Selective Allosteric Inhibitor of Tyrosyl-DNA Phosphodiesterase I.
J.Am.Chem.Soc., 142, 2020
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6WCK
 | | KRAS G-quadruplex G16T mutant with Bromo Uracil replacing T8 and T16. | | Descriptor: | DNA (5'-D(*AP*GP*GP*GP*CP*GP*GP*(BRU)P*GP*TP*GP*GP*GP*AP*AP*(BRU)P*AP*GP*GP*GP*AP*A)-3'), POTASSIUM ION | | Authors: | Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S. | | Deposit date: | 2020-03-30 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition.
Nucleic Acids Res., 48, 2020
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6XWM
 | | Mechanism of substrate release in neurotransmitter:sodium symporters: the structure of LeuT in an inward-facing occluded conformation | | Descriptor: | Na(+):neurotransmitter symporter (Snf family), PHENYLALANINE, SODIUM ION | | Authors: | Boesen, T, Nissen, P, Gotfryd, K, Loland, C.J, Gether, U. | | Deposit date: | 2020-01-24 | | Release date: | 2020-05-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release.
Nat Commun, 11, 2020
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8RFM
 | | Human NOQ1 enzyme in complex with NADH by serial crystallography | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
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8RFN
 | | Human NOQ1 enzyme in its holo form by serial crystallography | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
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8S1P
 | | YlmH bound to PtRNA-50S | | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Paternoga, H, Dimitrova-Paternoga, L, Wilson, D.N. | | Deposit date: | 2024-02-15 | | Release date: | 2024-06-12 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (1.96 Å) | | Cite: | A role for the S4-domain containing protein YlmH in ribosome-associated quality control in Bacillus subtilis.
Nucleic Acids Res., 52, 2024
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8S1U
 | | YlmH bound to stalled 50S subunits with RqcH and PtRNA | | Descriptor: | 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Paternoga, H, Wilson, D.N. | | Deposit date: | 2024-02-16 | | Release date: | 2024-06-12 | | Last modified: | 2024-08-21 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | A role for the S4-domain containing protein YlmH in ribosome-associated quality control in Bacillus subtilis.
Nucleic Acids Res., 52, 2024
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8RU8
 | | A crystal form of a human CDK2-CDK7 chimera | | Descriptor: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, Cyclin-dependent kinase 2 | | Authors: | Mukherjee, M, Cleasby, A. | | Deposit date: | 2024-01-30 | | Release date: | 2024-06-26 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
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6XMX
 | | Cryo-EM structure of BCL6 bound to BI-3802 | | Descriptor: | 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein | | Authors: | Yoon, H, Burman, S.S.R, Hunkeler, M, Nowak, R.P, Fischer, E.S. | | Deposit date: | 2020-07-01 | | Release date: | 2020-11-25 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Small-molecule-induced polymerization triggers degradation of BCL6.
Nature, 588, 2020
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8RFB
 | | Cryo-EM structure of the R243C mutant of human Prolyl Endopeptidase-Like (PREPL) protein involved in Congenital myasthenic syndrome-22 (CMS22) | | Descriptor: | Prolyl endopeptidase-like | | Authors: | Theodoropoulou, A, Cavani, E, Antanasijevic, A, Marcaida, M.J, Dal Peraro, M. | | Deposit date: | 2023-12-12 | | Release date: | 2024-09-04 | | Last modified: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (4.01 Å) | | Cite: | Missense variants in CMS22 patients reveal that PREPL has both enzymatic and nonenzymatic functions.
JCI Insight, 9, 2024
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6WPK
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8RQN
 | | Human thyroid hormone receptor beta ligand binding domain in complex with beta-selective agonist ALG-055009 | | Descriptor: | 6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione, Thyroid hormone receptor beta | | Authors: | Lammens, A, Maskos, K, Stoycheva, A.D, McGowan, D.C. | | Deposit date: | 2024-01-18 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Discovery and Preclinical Profile of ALG-055009, a Potent and Selective Thyroid Hormone Receptor Beta (THR-beta ) Agonist for the Treatment of MASH.
J.Med.Chem., 67, 2024
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6XM2
 | | The structure of the 4A11.v7 antibody in complex with human TGFb2 | | Descriptor: | 4A11.v7 heavy chain Fab (VH-CH1) IgG1 humanized, 4A11.v7 kappa light chain Fab (VL-CL) humanized, Transforming growth factor beta-2 | | Authors: | Lupardus, P.J, Yin, J.P. | | Deposit date: | 2020-06-29 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | TGF beta 2 and TGF beta 3 isoforms drive fibrotic disease pathogenesis.
Sci Transl Med, 13, 2021
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8SKQ
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8SGV
 | | human liver mitochondrial Catalase | | Descriptor: | Catalase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhang, Z. | | Deposit date: | 2023-04-13 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
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8SHS
 | | human liver mitochondrial Aldehyde dehydrogenase ALDH2 | | Descriptor: | Aldehyde dehydrogenase, mitochondrial | | Authors: | Zhang, Z. | | Deposit date: | 2023-04-14 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
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8SKR
 | | human liver mitochondrial Aspartate aminotransferase | | Descriptor: | Aspartate aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Zhang, Z, Tringides, M. | | Deposit date: | 2023-04-20 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
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8SGP
 | | human liver mitochondrial Medium-chain specific acyl-CoA dehydrogenase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | | Authors: | Zhang, Z. | | Deposit date: | 2023-04-12 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
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8SGR
 | | human liver mitochondrial Isovaleryl-CoA dehydrogenase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Isovaleryl-CoA dehydrogenase, mitochondrial | | Authors: | Zhang, Z. | | Deposit date: | 2023-04-13 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
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8SGS
 | | human liver mitochondrial Short-chain specific acyl-CoA dehydrogenase | | Descriptor: | COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, Short-chain specific acyl-CoA dehydrogenase, ... | | Authors: | Zhang, Z. | | Deposit date: | 2023-04-13 | | Release date: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | High-Resolution Structural Proteomics of Mitochondria Using the 'Build and Retrieve' Methodology.
Mol.Cell Proteomics, 22, 2023
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