4WO0
 
 | | Crystal structure of transthyretin in complex with apigenin | | Descriptor: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Transthyretin | | Authors: | Zanotti, G, Cianci, M, Folli, C, Berni, R. | | Deposit date: | 2014-10-15 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.339 Å) | | Cite: | Structural evidence for asymmetric ligand binding to transthyretin.
Acta Crystallogr.,Sect.D, 71, 2015
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4RXE
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4RXC
 | | T. Brucei Farnesyl Diphosphate Synthase Complexed with Homorisedronate BPH-6 | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-hydroxy-3-(pyridin-3-yl)propane-1,1-diyl]bis(phosphonic acid) | | Authors: | Cao, R, Liu, Y.-L, Oldfield, E. | | Deposit date: | 2014-12-09 | | Release date: | 2015-04-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
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4WNJ
 | | Crystal structure of Transthyretin-quercetin complex | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, Transthyretin | | Authors: | Zanotti, G, Cianci, M, Berni, R, Folli, C. | | Deposit date: | 2014-10-13 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | Structural evidence for asymmetric ligand binding to transthyretin.
Acta Crystallogr.,Sect.D, 71, 2015
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1MKO
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4WQO
 | | Structure of VHL-EloB-EloC-Cul2 | | Descriptor: | Cullin-2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | | Authors: | Nguyen, H.C, Xiong, Y. | | Deposit date: | 2014-10-22 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Insights into Cullin-RING E3 Ubiquitin Ligase Recruitment: Structure of the VHL-EloBC-Cul2 Complex.
Structure, 23, 2015
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6ABT
 | | Crystal structure of transcription factor from Listeria monocytogenes | | Descriptor: | PadR family transcriptional regulator | | Authors: | Lee, C, Hong, M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-based molecular characterization and regulatory mechanism of the LftR transcription factor from Listeria monocytogenes: Conformational flexibilities and a ligand-induced regulatory mechanism.
Plos One, 14, 2019
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7CT6
 | | Crystal structure of GCL from Deinococcus metallilatus | | Descriptor: | Glyoxylate carboligase | | Authors: | Kim, J.H, Kim, J.S. | | Deposit date: | 2020-08-18 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Glyoxylate carboligase-based whole-cell biotransformation of formaldehyde into ethylene glycol via glycolaldehyde.
Green Chem, 1, 2022
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6H4U
 | | Crystal structure of human KDM4A in complex with compound 34b | | Descriptor: | 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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6H4X
 | | Crystal structure of human KDM4A in complex with compound 17b | | Descriptor: | 8-[4-[2-[4-(4-pyridin-3-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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7DQB
 | | Crystal structure of an IclR homolog complexed with 4-hydroxybenzoate from Microbacterium hydrocarbonoxydans in P212121 form | | Descriptor: | IclR homolog, P-HYDROXYBENZOIC ACID | | Authors: | Akiyama, T, Sasaki, Y, Ito, S, Yajima, S. | | Deposit date: | 2020-12-23 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | Structural basis of the conformational changes in Microbacterium hydrocarbonoxydans IclR transcription factor homolog due to ligand binding.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
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4WNS
 | | Crystal structure of Transthyretin complexed with pterostilbene | | Descriptor: | DIMETHYL SULFOXIDE, Pterostilbene, SULFATE ION, ... | | Authors: | Zanotti, G, Cianci, M, Folli, C, Berni, R. | | Deposit date: | 2014-10-14 | | Release date: | 2015-08-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Structural evidence for asymmetric ligand binding to transthyretin.
Acta Crystallogr.,Sect.D, 71, 2015
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6ABQ
 | | Crystal structure of transcription factor from Listeria monocytogenes | | Descriptor: | CHLORIDE ION, PadR family transcriptional regulator | | Authors: | Lee, C, Hong, M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based molecular characterization and regulatory mechanism of the LftR transcription factor from Listeria monocytogenes: Conformational flexibilities and a ligand-induced regulatory mechanism.
Plos One, 14, 2019
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7CYA
 | | Saimiri boliviensis boliviensis galectin-13 with lactose | | Descriptor: | Galectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J. | | Deposit date: | 2020-09-03 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Actin binding to galectin-13/placental protein-13 occurs independently of the galectin canonical ligand-binding site.
Glycobiology, 31, 2021
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7CYB
 | | Saimiri boliviensis boliviensis galectin-13 with glycerol | | Descriptor: | GLYCEROL, Galectin | | Authors: | Su, J. | | Deposit date: | 2020-09-03 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Actin binding to galectin-13/placental protein-13 occurs independently of the galectin canonical ligand-binding site.
Glycobiology, 31, 2021
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4X5T
 | | alpha 1 glycine receptor transmembrane structure fused to the extracellular domain of GLIC | | Descriptor: | ACETATE ION, CHLORIDE ION, NICKEL (II) ION, ... | | Authors: | Sauguet, L, Corringer, P.J, Huon, C, Delarue, M. | | Deposit date: | 2014-12-05 | | Release date: | 2015-02-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Allosteric and hyperekplexic mutant phenotypes investigated on an alpha 1 glycine receptor transmembrane structure.
Proc.Natl.Acad.Sci.USA, 112, 2015
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8BHT
 | | ABCG2 turnover-1 state with tariquidar bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | | Authors: | Yu, Q, Kowal, J, Tajkhorshid, E, Locher, K.P. | | Deposit date: | 2022-10-31 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8BI0
 | | ABCG2 turnover-2 state with tariquidar bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | | Authors: | Yu, Q, Kowal, J, Tajkhorshid, E, Locher, K.P. | | Deposit date: | 2022-11-01 | | Release date: | 2023-01-11 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5AHT
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7YX6
 | | Crystal structure of YTHDF2 with compound YLI_DF_027 | | Descriptor: | 6-ethyl-1H-pyrimidine-2,4-dione, GLYCEROL, SULFATE ION, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-15 | | Release date: | 2022-02-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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7YXE
 | | Crystal structure of YTHDF2 with compound ZA_143 | | Descriptor: | GLYCEROL, SODIUM ION, SULFATE ION, ... | | Authors: | Nai, F, Zalesak, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-15 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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7Z26
 | | Crystal structure of YTHDF2 YTH domain in complex with m6A RNA | | Descriptor: | GLYCEROL, RNA (5'-R(P*(6MZ)P*CP*U)-3'), SULFATE ION, ... | | Authors: | Nai, F, Nachawati, R, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-25 | | Release date: | 2022-03-16 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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7Z4U
 | | Crystal structure of YTHDF2 with compound YLI_DF_028 | | Descriptor: | 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-03-04 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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7YWB
 | | Crystal structure of YTHDF2 in complex with N6-Methyladenine | | Descriptor: | CHLORIDE ION, GLYCEROL, N-METHYL-9H-PURIN-6-AMINE, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-12 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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7Z7F
 | | Crystal structure of YTHDF2 with compound YLI_DC1_005 | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Nai, F, Li, Y, Dolbois, A, Caflisch, A. | | Deposit date: | 2022-03-15 | | Release date: | 2022-03-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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