4CDU
 
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3 | | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-06 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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3N2N
 | | The Crystal Structure of Tumor Endothelial Marker 8 (TEM8) extracellular domain | | Descriptor: | ACETATE ION, Anthrax toxin receptor 1, MAGNESIUM ION | | Authors: | Fu, S, Tong, X.H, Wu, Y, Li, Y.Y, Rao, Z.H. | | Deposit date: | 2010-05-18 | | Release date: | 2011-01-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of tumor endothelial marker 8 (TEM8) extracellular domain and implications for its receptor function for recognizing anthrax toxin.
Plos One, 5, 2010
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6U6Y
 | | Human SAMHD1 bound to ribo(CGCCU)-oligonucleotide | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, RNA CGCCU, ... | | Authors: | Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N. | | Deposit date: | 2019-08-30 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
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8I7U
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4PUZ
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4PV0
 | | Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor | | Descriptor: | 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK | | Authors: | Lansdon, E.B, Mitchell, S.A. | | Deposit date: | 2014-03-14 | | Release date: | 2014-05-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase.
J.Med.Chem., 57, 2014
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6W5N
 | | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class05) | | Descriptor: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | | Deposit date: | 2020-03-13 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
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6W4K
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 | | Descriptor: | 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | Authors: | Hosfield, D.J. | | Deposit date: | 2020-03-11 | | Release date: | 2020-10-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of CC-90011: A Potent and Selective Reversible Inhibitor of Lysine Specific Demethylase 1 (LSD1).
J.Med.Chem., 63, 2020
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6W5I
 | | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class01) | | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | | Deposit date: | 2020-03-13 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
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6W5M
 | | Cryo-EM structure of MLL1 in complex with RbBP5, WDR5, SET1, and ASH2L bound to the nucleosome (Class02) | | Descriptor: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | | Authors: | Park, S.H, Lee, Y.T, Ayoub, A, Dou, Y, Cho, U. | | Deposit date: | 2020-03-13 | | Release date: | 2021-03-31 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Mechanism for DPY30 and ASH2L intrinsically disordered regions to modulate the MLL/SET1 activity on chromatin.
Nat Commun, 12, 2021
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1MDO
 | | Crystal structure of ArnB aminotransferase with pyridomine 5' phosphate | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ArnB aminotransferase | | Authors: | Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K, Sauder, J.M, Buchanan, S.G. | | Deposit date: | 2002-08-07 | | Release date: | 2002-12-11 | | Last modified: | 2018-12-26 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
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1MDZ
 | | Crystal structure of ArnB aminotransferase with cycloserine and pyridoxal 5' phosphate | | Descriptor: | ArnB aminotransferase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K.S, Sauder, J.M, Buchanan, S.G. | | Deposit date: | 2002-08-07 | | Release date: | 2002-12-11 | | Last modified: | 2018-12-26 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
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1MDX
 | | Crystal structure of ArnB transferase with pyridoxal 5' phosphate | | Descriptor: | 2-OXOGLUTARIC ACID, ArnB aminotransferase, GLYCEROL, ... | | Authors: | Noland, B.W, Newman, J.M, Hendle, J, Badger, J, Christopher, J.A, Tresser, J, Buchanan, M.D, Wright, T.A, Rutter, M.E, Sanderson, W.E, Muller-Dieckmann, H.-J, Gajiwala, K.S, Sauder, J.M, Buchanan, S.G. | | Deposit date: | 2002-08-07 | | Release date: | 2002-12-11 | | Last modified: | 2018-12-26 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural studies of Salmonella typhimurium ArnB (PmrH) aminotransferase: A 4-amino-4-deoxy-L-arabinose lipopolysaccharide modifying enzyme
Structure, 10, 2002
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5VFC
 | | WDR5 bound to inhibitor MM-589 | | Descriptor: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | | Authors: | Stuckey, J.A. | | Deposit date: | 2017-04-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
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7B5I
 | | Cryo-EM structure of the contractile injection system cap complex from Anabaena PCC7120 | | Descriptor: | All3324 protein, All3325 protein, All3326 protein, ... | | Authors: | Eisenstein, F, Weiss, G.L, Pilhofer, M. | | Deposit date: | 2020-12-03 | | Release date: | 2022-02-23 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure of a thylakoid-anchored contractile injection system in multicellular cyanobacteria.
Nat Microbiol, 7, 2022
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7B5H
 | | Cryo-EM structure of the contractile injection system base plate from Anabaena PCC7120 | | Descriptor: | All3314 protein, All3315 protein, All3316 protein, ... | | Authors: | Eisenstein, F, Weiss, G.L, Pilhofer, M. | | Deposit date: | 2020-12-03 | | Release date: | 2022-02-23 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure of a thylakoid-anchored contractile injection system in multicellular cyanobacteria.
Nat Microbiol, 7, 2022
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6PLG
 | | Crystal structure of human PHGDH complexed with Compound 15 | | Descriptor: | (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2019-09-04 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
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1INN
 | | CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, P21 | | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | | Deposit date: | 2001-05-14 | | Release date: | 2001-06-08 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
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1J6X
 | | CRYSTAL STRUCTURE OF HELICOBACTER PYLORI LUXS | | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | | Deposit date: | 2001-05-14 | | Release date: | 2001-06-08 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
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6PLF
 | | Crystal structure of human PHGDH complexed with Compound 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase | | Authors: | Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K. | | Deposit date: | 2019-06-30 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
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6CKO
 | | Crystal structure of an AF10 fragment | | Descriptor: | Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein AF-10, ... | | Authors: | Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-28 | | Release date: | 2018-03-21 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
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6CKN
 | | Crystal structure of an AF10 fragment | | Descriptor: | Protein AF-10, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-28 | | Release date: | 2018-03-21 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structural and functional analysis of the DOT1L-AF10 complex reveals mechanistic insights into MLL-AF10-associated leukemogenesis.
Genes Dev., 32, 2018
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1J6W
 | | CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS | | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | | Deposit date: | 2001-05-14 | | Release date: | 2001-06-08 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
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1J6V
 | | CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, C2 | | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION | | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | | Deposit date: | 2001-05-14 | | Release date: | 2001-06-08 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
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221L
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