7YP0
| Crystal structure of CtGST | Descriptor: | Glutathione S-transferase | Authors: | Yang, J, Fan, J.P, Lei, X.G. | Deposit date: | 2022-08-02 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7. Jacs Au, 4, 2024
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7YOC
| Crystal structure of Fhb7 | Descriptor: | Fhb7 | Authors: | Yang, J, Liang, K, Xiao, J.Y, Lei, X.G. | Deposit date: | 2022-08-01 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7. Jacs Au, 4, 2024
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3Q68
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3Q66
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6X5Y
| IDO1 in complex with compound 4 | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
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6MUM
| Murine PI3K delta kinsae domain - cpd 3 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone | Authors: | Fischmann, T.O. | Deposit date: | 2018-10-23 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability. J.Med.Chem., 62, 2019
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6MUL
| Murine PI3K delta kinsae domain - cpd 1 | Descriptor: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Fischmann, T.O. | Deposit date: | 2018-10-23 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability. J.Med.Chem., 62, 2019
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6NJS
| Stat3 Core in complex with compound SD36 | Descriptor: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2019-01-04 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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6NUQ
| Stat3 Core in complex with compound SI109 | Descriptor: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2019-02-01 | Release date: | 2019-12-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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8TES
| Human cytomegalovirus portal vertex, virion configuration 2 (VC2) | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | Deposit date: | 2023-07-06 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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8TEW
| Human cytomegalovirus penton vertex, CVSC-bound configuration | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | Deposit date: | 2023-07-07 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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8TET
| Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 1 (NC1) | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | Deposit date: | 2023-07-07 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.26 Å) | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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8TEP
| Human cytomegalovirus portal vertex, virion configuration 1 (VC1) | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Inner tegument protein, ... | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | Deposit date: | 2023-07-06 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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8TEU
| Human cytomegalovirus portal vertex, non-infectious enveloped particle (NIEP) configuration 2 - inverted (NC2-inv) | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ... | Authors: | Jih, J, Liu, Y.T, Liu, W, Zhou, H. | Deposit date: | 2023-07-07 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.01 Å) | Cite: | The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM. Sci Adv, 10, 2024
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4U97
| Crystal Structure of Asymmetric IRAK4 Dimer | Descriptor: | Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION | Authors: | Ferrao, R, Wu, H. | Deposit date: | 2014-08-05 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly. Mol.Cell, 55, 2014
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4U9A
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5C90
| Staphylococcus aureus ClpP mutant - Y63A | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP-dependent Clp protease proteolytic subunit | Authors: | Ye, F, Liu, H, Zhang, J, Gan, J, Yang, C.-G. | Deposit date: | 2015-06-26 | Release date: | 2016-05-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Characterization of Gain-of-Function Mutant Provides New Insights into ClpP Structure Acs Chem.Biol., 11, 2016
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4MFI
| Crystal structure of Mycobacterium tuberculosis UgpB | Descriptor: | Sn-glycerol-3-phosphate ABC transporter substrate-binding protein UspB | Authors: | Jiang, D, Bartlam, M, Rao, Z. | Deposit date: | 2013-08-28 | Release date: | 2014-07-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural analysis of Mycobacterium tuberculosis ATP-binding cassette transporter subunit UgpB reveals specificity for glycerophosphocholine Febs J., 281, 2014
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5UJJ
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5UJI
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4QKN
| Crystal structure of FTO bound to a selective inhibitor | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ... | Authors: | Yang, C.-G, Huang, Y, Gan, J. | Deposit date: | 2014-06-07 | Release date: | 2014-12-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5. Nucleic Acids Res., 43, 2015
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7KHL
| BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | Authors: | Murray, J.M. | Deposit date: | 2020-10-21 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.286 Å) | Cite: | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J.Med.Chem., 64, 2021
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7KHH
| Ternary complex of VHL/BRD4-BD1/Compound9 (4-(3,5-difluoropyridin-2-yl)-N-(11-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-11-oxoundecyl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxamide) | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | Authors: | Murray, J.M. | Deposit date: | 2020-10-21 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.281 Å) | Cite: | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy. J.Med.Chem., 64, 2021
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5HLH
| Crystal structure of the overoxidized AbfR bound to DNA | Descriptor: | DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator | Authors: | Liu, G, Liu, X, Gan, J, Yang, C.-G. | Deposit date: | 2016-01-15 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR. J. Am. Chem. Soc., 139, 2017
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5HLI
| Structure of Disulfide formed AbfR | Descriptor: | CHLORIDE ION, COPPER (II) ION, MarR family transcriptional regulator | Authors: | Liu, G, Liu, X, Gan, J, Yang, C.-G. | Deposit date: | 2016-01-15 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR. J. Am. Chem. Soc., 139, 2017
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