4O71
 
 | | Crystal structure of the first bromodomain of human BRD4 in complex with FLAVOPIRIDOL | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE, Bromodomain-containing protein 4 | | Authors: | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | | Deposit date: | 2013-12-24 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
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4O75
 | | Crystal structure of the first bromodomain of human BRD4 in complex with FOSTAMATINIB | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl]methyl dihydrogen phosphate | | Authors: | Zhu, J.-Y, Ember, S.W, Watts, C, Schonbrunn, E. | | Deposit date: | 2013-12-24 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Acetyl-lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors.
Acs Chem.Biol., 9, 2014
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8EIK
 | | Cryo-EM structure of human DNMT3B homo-hexamer | | Descriptor: | DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Lu, J.W, Song, J.K. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
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4GM8
 | | Crystal structure of human WD repeat domain 5 with compound MM-102 | | Descriptor: | MM-102, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2013-07-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | High-affinity, small-molecule peptidomimetic inhibitors of MLL1/WDR5 protein-protein interaction.
J.Am.Chem.Soc., 135, 2013
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8EIJ
 | | Cryo-EM structure of human DNMT3B homo-trimer | | Descriptor: | DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Lu, J.W, Song, J.K. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
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4OKN
 | | Crystal structure of human muscle L-lactate dehydrogenase, ternary complex with NADH and oxalate | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, KANAMYCIN A, L-lactate dehydrogenase A chain, ... | | Authors: | Kolappan, S, Craig, L. | | Deposit date: | 2014-01-22 | | Release date: | 2014-12-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms.
Acta Crystallogr.,Sect.D, 71, 2015
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8EIH
 | | Cryo-EM structure of human DNMT3B homo-tetramer (form I) | | Descriptor: | DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Lu, J.W, Song, J.K. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
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8F5Q
 | | Crystal structure of human PCNA in complex with the PIP box of FBH1 | | Descriptor: | F-box DNA helicase 1, Proliferating cell nuclear antigen | | Authors: | Liu, J, Chaves-Arquero, B, Wei, P, Tencer, H, Zhang, G, Blanco, F, Kutateladze, T. | | Deposit date: | 2022-11-15 | | Release date: | 2023-09-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular insight into the PCNA-binding mode of FBH1.
Structure, 31, 2023
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8EII
 | | Cryo-EM structure of human DNMT3B homo-tetramer (form II) | | Descriptor: | DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | Authors: | Lu, J.W, Song, J.K. | | Deposit date: | 2022-09-15 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Structural basis for the allosteric regulation and dynamic assembly of DNMT3B.
Nucleic Acids Res., 51, 2023
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8EWV
 | | DNA-encoded library (DEL)-enabled discovery of proximity inducing small molecules | | Descriptor: | Bromodomain-containing protein 4, Elongin-B, Elongin-C, ... | | Authors: | Schreiber, S.L, Shu, W, Ma, X, Michaud, G, Bonazzi, S, Berst, F. | | Deposit date: | 2022-10-24 | | Release date: | 2023-10-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | DNA-encoded library-enabled discovery of proximity-inducing small molecules.
Nat.Chem.Biol., 20, 2024
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4PC0
 | | Structure of the human RbAp48-MTA1(670-711) complex | | Descriptor: | CALCIUM ION, GLYCEROL, Histone-binding protein RBBP4, ... | | Authors: | Alqarni, S.S.M, Silva, A.P.G, Mackay, J.P, Laue, E.D. | | Deposit date: | 2014-04-14 | | Release date: | 2014-06-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
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4GD7
 | | Wild-Type Human Thymidylate Synthase with bound Purpurogallin | | Descriptor: | 1,2-ETHANEDIOL, 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one, SULFATE ION, ... | | Authors: | Celeste, L.R, Lebioda, L. | | Deposit date: | 2012-07-31 | | Release date: | 2013-07-31 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Oxidation of Cysteine 195 of Huyman Thymidylate Synthase by Purpurogallin
To be published, 2012
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4GM9
 | | Crystal structure of human WD repeat domain 5 with compound MM-401 | | Descriptor: | MM-401, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Liu, L, Dou, Y, Lei, M, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human WD repeat domain 5 with compound MM-401
To be Published
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2D9T
 | | Solution structure of the Tudor domain of Tudor domain containing protein 3 from mouse | | Descriptor: | Tudor domain-containing protein 3 | | Authors: | Li, H, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-13 | | Release date: | 2006-06-13 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Tudor domain of Tudor domain containing protein 3 from mouse
To be Published
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2DAO
 | | Solution structure of ETS domain Transcriptional factor ETV6 protein | | Descriptor: | Transcription factor ETV6 | | Authors: | Niraula, T.N, Sasagawa, A, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-14 | | Release date: | 2006-12-12 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of ETS domain Transcriptional factor ETV6 protein
To be Published
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2DB1
 | | Solution structure of the RNA binding domain in heterogeneous nuclear ribonucleoprotein F homolog | | Descriptor: | heterogeneous nuclear ribonucleoprotein F | | Authors: | Abe, C, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-14 | | Release date: | 2006-06-14 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the RNA binding domain in
heterogeneous nuclear ribonucleoprotein F homolog
To be Published
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4PCE
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 | | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 | | Authors: | Dong, J, Caflisch, A. | | Deposit date: | 2014-04-15 | | Release date: | 2014-05-07 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.293 Å) | | Cite: | Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.
Bioorg.Med.Chem.Lett., 24, 2014
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2DH3
 | | Crystal Structure of human ED-4F2hc | | Descriptor: | 4F2 cell-surface antigen heavy chain, ZINC ION | | Authors: | Fort, J, Fita, I, Palacin, M. | | Deposit date: | 2006-03-21 | | Release date: | 2007-03-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structure of human 4F2hc ectodomain provides a model for homodimerization and electrostatic interaction with plasma membrane.
J.Biol.Chem., 282, 2007
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8F2Z
 | | LSD1-CoREST in complex with AW2, short soaking | | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-09 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8F30
 | | LSD1-CoREST in complex with AW2, long soaking | | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-09 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8F59
 | | LSD1-CoREST in complex with AW2 and SNAG peptide | | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-12 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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2DLX
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8F6S
 | | LSD1-CoREST in complex with T105 | | Descriptor: | 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-17 | | Release date: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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4Q0N
 | | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand | | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, Protein polybromo-1 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Monteiro, O, Fedorov, O, Chaikuad, A, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-04-02 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
To be Published
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4QFY
 | | Crystal structure of the tetrameric dGTP/dCTP-bound SAMHD1 (RN206) mutant catalytic core | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Koharudin, L.M.I, Wu, Y, DeLucia, M, Mehrens, J, Gronenborn, A.M, Ahn, J. | | Deposit date: | 2014-05-22 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis of Allosteric Activation of Sterile alpha Motif and Histidine-Aspartate Domain-containing Protein 1 (SAMHD1) by Nucleoside Triphosphates.
J.Biol.Chem., 289, 2014
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