3BLT
 
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9H8S
 | | Human CDK8/Cyclin-C complex with inhibitor 3-7 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, CHLORIDE ION, ... | | Authors: | Somers, D.O. | | Deposit date: | 2024-10-29 | | Release date: | 2025-01-22 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (2.157 Å) | | Cite: | Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
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9H8C
 | | Human CDK8/Cyclin-C complex with inhibitor 2-9 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3~{S})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile, Cyclin-C, ... | | Authors: | Somers, D.O. | | Deposit date: | 2024-10-29 | | Release date: | 2025-01-22 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (2.573 Å) | | Cite: | Phenotype-Led Identification of IL-10 Upregulators in Human CD4 + T-cells and Elucidation of Their Pharmacology as Highly Selective CDK8/CDK19 Inhibitors.
J.Med.Chem., 68, 2025
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9FMM
 | | Structure of human ACE2 in complex with a fluorinated small molecule inhibitor | | Descriptor: | (2~{S})-2-[[(2~{S})-3-[3-[(3-chloranyl-5-fluoranyl-phenyl)methyl]imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-methyl-pentanoic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Benoit, R.B, Rodrigues, M.J, Wieser, M.M. | | Deposit date: | 2024-06-06 | | Release date: | 2024-07-17 | | Last modified: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Development of radiofluorinated MLN-4760 derivatives for PET imaging of the SARS-CoV-2 entry receptor ACE2.
Eur J Nucl Med Mol Imaging, 52, 2024
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8IND
 | | Crystal structure of UGT74AN3-UDP-RES | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one, Glycosyltransferase, ... | | Authors: | Huang, W. | | Deposit date: | 2023-03-09 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
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8INV
 | | Crystal structure of UGT74AN3-UDP-BUF | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE, ... | | Authors: | Long, F, Huang, W. | | Deposit date: | 2023-03-10 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
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8INA
 | | Crystal structure of UGT74AN3-UDP | | Descriptor: | GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Long, F, Huang, W. | | Deposit date: | 2023-03-09 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
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8INO
 | | Crystal structure of UGT74AN3 in complex UDP and PER | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(3S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, Glycosyltransferase, ... | | Authors: | Long, F, Huang, W. | | Deposit date: | 2023-03-10 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Substrate Promiscuity, Crystal Structure, and Application of a Plant UDP-Glycosyltransferase UGT74AN3
Acs Catalysis, 14, 2024
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2IJM
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7Y38
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3FXV
 | | Identification of an N-oxide pyridine GW4064 analogue as a potent FXR agonist | | Descriptor: | 12-meric peptide from Nuclear receptor coactivator 1, 6-(4-{[3-(3,5-dichloropyridin-4-yl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-2-methylphenyl)-1-methyl-1H-indole-3-carbox ylic acid, NR1H4 protein | | Authors: | Feng, S, Yang, M, He, Y, Chen, L, Zhang, Z, Wang, Z, Hong, D, Richter, H, Benson, G.M, Bleicher, K, Grether, U, Martin, R, Plancher, J.-M, Kuhn, B, Rudolph, M.G. | | Deposit date: | 2009-01-21 | | Release date: | 2009-04-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Identification of an N-oxide pyridine GW4064 analog as a potent FXR agonist
Bioorg.Med.Chem.Lett., 19, 2009
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7XKG
 | | Crystal structure of an intramolecular mesacyl-CoA transferase from the 3-hydroxypropionic acid cycle of Roseiflexus castenholzii | | Descriptor: | Acyl-CoA transferase/carnitine dehydratase-like protein | | Authors: | Min, Z.Z, Fan, C.P, Wu, W.P, Xin, Y.Y, Liu, M.H, Zhang, X, Wang, Z.G, Xu, X.L. | | Deposit date: | 2022-04-19 | | Release date: | 2022-06-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of an Intramolecular Mesaconyl-Coenzyme A Transferase From the 3-Hydroxypropionic Acid Cycle of Roseiflexus castenholzii .
Front Microbiol, 13, 2022
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8WTS
 | | SARS-CoV-2 3CLpro bound to covalent inhibitor | | Descriptor: | (2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide, 1,2-ETHANEDIOL, 3C-like proteinase, ... | | Authors: | Peng, J, Sun, D, Ding, X. | | Deposit date: | 2023-10-19 | | Release date: | 2025-04-23 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A novel, covalent broad-spectrum inhibitor targeting human coronavirus M pro.
Nat Commun, 16, 2025
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7CVQ
 | | crystal structure of Arabidopsis CO CCT domain in complex with NF-YB2/YC3 and FT CORE1 DNA | | Descriptor: | Chimera of Nuclear transcription factor Y subunit C-3 and Zinc finger protein CONSTANS, FT CORE1 DNA forward strand, FT CORE1 DNA reverse strand, ... | | Authors: | Lv, X, Du, J. | | Deposit date: | 2020-08-26 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural insights into the multivalent binding of the Arabidopsis FLOWERING LOCUS T promoter by the CO-NF-Y master transcription factor complex.
Plant Cell, 33, 2021
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7CVO
 | | crystal structure of Arabidopsis CO CCT domain in complex with NF-YB3/YC4 and FT CORE2 DNA | | Descriptor: | Chimera of Nuclear transcription factor Y subunit C-4 and Zinc finger protein CONSTANS, FT CORE2 DNA forward strand, FT CORE2 DNA reverse strand, ... | | Authors: | Lv, X, Du, J. | | Deposit date: | 2020-08-26 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insights into the multivalent binding of the Arabidopsis FLOWERING LOCUS T promoter by the CO-NF-Y master transcription factor complex.
Plant Cell, 33, 2021
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7CU8
 | | Crystal structure of the soluble domain of TiME protein from Mycobacterium tuberculosis | | Descriptor: | SULFATE ION, Tube-forming protein in Mycobacterial Envelope (TiME) | | Authors: | Gong, W, Cai, X, Liu, L, Wen, C. | | Deposit date: | 2020-08-21 | | Release date: | 2021-08-25 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Identification and architecture of a putative secretion tube across mycobacterial outer envelope.
Sci Adv, 7, 2021
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7CU9
 | | Crystal structure of the soluble domain of TiME protein from Mycobacterium smegmatis | | Descriptor: | GLYCEROL, MAGNESIUM ION, Tube-forming protein in Mycobacterial Envelpe, ... | | Authors: | Gong, W, Cai, X, Liu, L, Wen, C. | | Deposit date: | 2020-08-21 | | Release date: | 2021-08-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification and architecture of a putative secretion tube across mycobacterial outer envelope.
Sci Adv, 7, 2021
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5Z3R
 | | Crystal Structure of Delta 5-3-Ketosteroid Isomerase from Mycobacterium sp. | | Descriptor: | Steroid delta-isomerase | | Authors: | Cheng, X.Y, Peng, F, Yang, F, Huang, Y.Q, Su, Z.D. | | Deposit date: | 2018-01-08 | | Release date: | 2018-01-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structure-based reconstruction of a Mycobacterium hypothetical protein into an active Delta5-3-ketosteroid isomerase.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
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6IMM
 | | Cryo-EM structure of an alphavirus, Sindbis virus | | Descriptor: | Assembly protein E3, Octadecane, Spike glycoprotein E1, ... | | Authors: | Zhang, X, Ma, J, Chen, L. | | Deposit date: | 2018-10-23 | | Release date: | 2019-03-13 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Implication for alphavirus host-cell entry and assembly indicated by a 3.5 angstrom resolution cryo-EM structure.
Nat Commun, 9, 2018
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8FKF
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8FKD
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8FKG
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8FKC
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8FHE
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8FHG
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