6WNH
 
 | | Menin bound to inhibitor M-808 | | Descriptor: | Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate | | Authors: | Stuckey, J.A. | | Deposit date: | 2020-04-22 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.
J.Med.Chem., 63, 2020
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7XI7
 | | Human dihydrofolate reductase complexed with P39 | | Descriptor: | 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION | | Authors: | Vanichtanankul, J, Saeyang, T, Kamchonwongpaisan, S, Yuvaniyama, J, Yuthavong, Y. | | Deposit date: | 2022-04-12 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
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7XX6
 | | Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169a DNA fragment) | | Descriptor: | CALCIUM ION, DNA (169-MER), Histone H1.0, ... | | Authors: | Adhireksan, Z, Qiuye, B, Lee, P.L, Sharma, D, Padavattan, S, Davey, C.A. | | Deposit date: | 2022-05-28 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.39 Å) | | Cite: | Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169a DNA fragment)
To Be Published
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7XVL
 | | Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169an DNA fragment) | | Descriptor: | DNA (169-MER), Histone H1.0, Histone H2A type 1-B/E, ... | | Authors: | Adhireksan, Z, Qiuye, B, Lee, P.L, Sharma, D, Padavattan, S, Davey, C.A. | | Deposit date: | 2022-05-24 | | Release date: | 2023-05-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.506 Å) | | Cite: | Crystal Structure of Nucleosome-H1.0 Linker Histone Assembly (sticky-169an DNA fragment)
To Be Published
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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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7Z1K
 | | Crystal structure of the SPOC domain of human SHARP (SPEN) in complex with RNA polymerase II CTD heptapeptide phosphorylated on Ser5 | | Descriptor: | Msx2-interacting protein, SER-TYR-SER-PRO-THR-SEP | | Authors: | Appel, L, Grishkovskaya, I, Slade, D, Djinovic-Carugo, K. | | Deposit date: | 2022-02-24 | | Release date: | 2022-12-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The SPOC domain is a phosphoserine binding module that bridges transcription machinery with co- and post-transcriptional regulators.
Nat Commun, 14, 2023
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8P2P
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6LUR
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7DBP
 | | Linker histone defines structure and self-association behaviour of the 177 bp human chromosome | | Descriptor: | DNA (175-MER), Histone H1.0, Histone H2A type 1-B/E, ... | | Authors: | Wang, S, Vogirala, K.V, Soman, A, Liu, Z.B. | | Deposit date: | 2020-10-21 | | Release date: | 2020-12-23 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Linker histone defines structure and self-association behaviour of the 177 bp human chromatosome.
Sci Rep, 11, 2021
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8D7I
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8D7K
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5TN2
 | | Solution Structure of the C-terminal multimerization domain of the master biofilm-regulator SinR from Bacillus subtilis | | Descriptor: | HTH-type transcriptional regulator SinR | | Authors: | Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-10-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 2019
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5TN0
 | | Solution Structure of the N-terminal DNA-binding domain of the master biofilm-regulator SinR from Bacillus subtilis | | Descriptor: | HTH-type transcriptional regulator SinR | | Authors: | Draughn, G.L, Bobay, B.G, Stowe, S.D, Thompson, R.J, Cavanagh, J. | | Deposit date: | 2016-10-13 | | Release date: | 2017-10-25 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis.
J.Mol.Biol., 2019
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8C3A
 | | Crystal structure of ailanthone bound to the Candida albicans 80S ribosome | | Descriptor: | 18S, 25S, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ... | | Authors: | Kolosova, O, Zgadzay, Y, Yusupov, M. | | Deposit date: | 2022-12-23 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | New crystal system to promote screening for new eukaryotic inhibitors
To Be Published
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4UP1
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3Q3S
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1UMU
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7T0U
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-12387 | | Descriptor: | 3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-11-30 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystal structure of the BCL6 BTB domain in complex with OICR-12387
To Be Published
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7T0T
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-10562 | | Descriptor: | DIMETHYL SULFOXIDE, Isoform 2 of B-cell lymphoma 6 protein, N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-11-30 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the BCL6 BTB domain in complex with OICR-10562
To Be Published
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7T0S
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-11864 | | Descriptor: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-11-30 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Crystal structure of the BCL6 BTB domain in complex with OICR-11864
To Be Published
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7AOA
 | | Structure of the extended MTA1/HDAC1/MBD2/RBBP4 NURD deacetylase complex | | Descriptor: | Histone deacetylase 1, Histone-binding protein RBBP4, INOSITOL HEXAKISPHOSPHATE, ... | | Authors: | Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. | | Deposit date: | 2020-10-14 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (19.4 Å) | | Cite: | The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
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7AO9
 | | Structure of the core MTA1/HDAC1/MBD2 NURD deacetylase complex | | Descriptor: | Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ... | | Authors: | Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. | | Deposit date: | 2020-10-14 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
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7AO8
 | | Structure of the MTA1/HDAC1/MBD2 NURD deacetylase complex | | Descriptor: | Histone deacetylase 1, INOSITOL HEXAKISPHOSPHATE, Metastasis-associated protein MTA1, ... | | Authors: | Millard, C.J, Fairall, L, Ragan, T.J, Savva, C.G, Schwabe, J.W.R. | | Deposit date: | 2020-10-14 | | Release date: | 2020-11-11 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | The topology of chromatin-binding domains in the NuRD deacetylase complex.
Nucleic Acids Res., 48, 2020
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3KUP
 | | Crystal Structure of the CBX3 Chromo Shadow Domain | | Descriptor: | Chromobox protein homolog 3, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Li, Z, Li, Y, Kozieradzki, I, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-11-27 | | Release date: | 2009-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal Structure of the CBX3 Chromo Shadow Domain
to be published
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3N5E
 | | Crystal Structure of human thymidylate synthase bound to a peptide inhibitor | | Descriptor: | SULFATE ION, Synthetic peptide LR, Thymidylate synthase | | Authors: | Pozzi, C, Cardinale, D, Guaitoli, G, Tondi, D, Luciani, R, Myllykallio, H, Ferrari, S, Costi, M.P, Mangani, S. | | Deposit date: | 2010-05-25 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Protein-protein interface-binding peptides inhibit the cancer therapy target human thymidylate synthase.
Proc.Natl.Acad.Sci.USA, 108, 2011
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