8P9J
 
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8P9F
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8P9L
 | | Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB512 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-06-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.
Acs Chem.Biol., 19, 2024
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8X3R
 | | Crystal structure of human WDR5 in complex with WDR5 | | Descriptor: | WD repeat-containing protein 5 | | Authors: | Liu, Y, Huang, X. | | Deposit date: | 2023-11-14 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
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7TOB
 | | Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376 | | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | | Authors: | Sacco, M.D, Wang, J, Chen, Y. | | Deposit date: | 2022-01-24 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition.
Cell Res., 32, 2022
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5LYY
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | Descriptor: | 3-[2-(4-fluoranylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione, Platelet-activating factor acetylhydrolase | | Authors: | Woolford, A, Day, P. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
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8GI5
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7STA
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5MQM
 | | Glycoside hydrolase BT_0986 | | Descriptor: | CALCIUM ION, D-rhamnopyranose tetrazole, Glycosyl hydrolases family 2, ... | | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | Deposit date: | 2016-12-20 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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7XUZ
 | | Crystal structure of a HDAC4-MEF2A-DNA ternary complex | | Descriptor: | DNA (5'-D(*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*A)-3'), Histone deacetylase 4, ... | | Authors: | Dai, S.Y, Guo, L, Dey, R, Guo, M, Bates, D, Cayford, J, Chen, X.J, Wei, X.D, Chen, L, Chen, Y.H. | | Deposit date: | 2022-05-20 | | Release date: | 2023-11-29 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3.591 Å) | | Cite: | Structural insights into the HDAC4-MEF2A-DNA complex and its implication in long-range transcriptional regulation.
Nucleic Acids Res., 52, 2024
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2HDZ
 | | Crystal Structure Analysis of the UBF HMG box5 | | Descriptor: | Nucleolar transcription factor 1 | | Authors: | Rong, H, Teng, M.K, Niu, L.W. | | Deposit date: | 2006-06-21 | | Release date: | 2007-06-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human upstream binding factor HMG box 5 and site for binding of the cell-cycle regulatory factor TAF1
Acta Crystallogr.,Sect.D, 63, 2007
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7SL2
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5LZ4
 | | Fragment-based inhibitors of Lipoprotein associated Phospholipase A2 | | Descriptor: | 5-[2-(4,4-dimethyl-2-oxidanylidene-pyrrolidin-1-yl)ethoxy]-2-fluoranyl-benzenecarbonitrile, CHLORIDE ION, Platelet-activating factor acetylhydrolase | | Authors: | Woolford, A, Day, P. | | Deposit date: | 2016-09-29 | | Release date: | 2016-12-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2).
J. Med. Chem., 59, 2016
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6VIK
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5MSY
 | | Glycoside hydrolase BT_1012 | | Descriptor: | AMMONIA, Glycoside hydrolase, PHOSPHATE ION | | Authors: | Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J. | | Deposit date: | 2017-01-06 | | Release date: | 2017-03-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
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5LCV
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5GOU
 | | Structure of a 16-mer protein nanocage fabricated from its 24-mer analogue by subunit interface redesign | | Descriptor: | Ferritin heavy chain | | Authors: | Zhang, S, Zang, J, Wang, W, Wang, H, Zhao, G. | | Deposit date: | 2016-07-29 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Conversion of the Native 24-mer Ferritin Nanocage into Its Non-Native 16-mer Analogue by Insertion of Extra Amino Acid Residues.
Angew. Chem. Int. Ed. Engl., 55, 2016
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5KE7
 | | mouse Klf4 ZnF1-3 and TpG/MpA sequence DNA complex structure | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*(5CM)P*AP*CP*CP*TP*C)-3'), ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-09 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Distinctive Klf4 mutants determine preference for DNA methylation status.
Nucleic Acids Res., 44, 2016
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5K5I
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4EMP
 | | Crystal structure of the mutant of ClpP E137A from Staphylococcus aureus | | Descriptor: | ATP-dependent Clp protease proteolytic subunit | | Authors: | Ye, F, Zhang, J, Liu, H, Luo, C, Yang, C.-G. | | Deposit date: | 2012-04-12 | | Release date: | 2013-04-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Helix unfolding/refolding characterizes the functional dynamics of Staphylococcus aureus Clp protease
J.Biol.Chem., 288, 2013
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5KE6
 | | mouse Klf4 ZnF1-3 and TpG/CpA sequence DNA complex structure | | Descriptor: | DNA (5'-D(*GP*AP*GP*GP*TP*GP*TP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*AP*CP*AP*CP*CP*TP*C)-3'), Krueppel-like factor 4, ... | | Authors: | Hashimoto, H, Cheng, X. | | Deposit date: | 2016-06-09 | | Release date: | 2016-09-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Distinctive Klf4 mutants determine preference for DNA methylation status.
Nucleic Acids Res., 44, 2016
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5KEB
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7X9X
 | | Thermotoga Maritima ferritin variant-Tm-E(G40E) with Zn | | Descriptor: | FE (III) ION, Ferritin, ZINC ION | | Authors: | Liu, Y, Zhao, G. | | Deposit date: | 2022-03-16 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels.
Acs Nano, 16, 2022
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7XA4
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7XA2
 | | Thermotoga maritima ferritin variant-Tm-E(S111H) | | Descriptor: | FE (III) ION, Ferritin | | Authors: | Liu, Y, Zhao, G. | | Deposit date: | 2022-03-16 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Directed Self-Assembly of Dimeric Building Blocks into Networklike Protein Origami to Construct Hydrogels.
Acs Nano, 16, 2022
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