6VAH
| Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative | Descriptor: | 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid, Transcriptional enhancer factor TEF-4, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Zeng, H, Dong, A, Li, Y, Melin, L, Gagnon, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-17 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative to be published
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4E91
| Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3 | Descriptor: | (3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein, ... | Authors: | Lemke, C.T. | Deposit date: | 2012-03-20 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein. J.Virol., 86, 2012
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4E92
| Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4 | Descriptor: | 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein | Authors: | Lemke, C.T. | Deposit date: | 2012-03-20 | Release date: | 2012-04-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein. J.Virol., 86, 2012
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8P29
| TEAD2 in complex with an inhibitor | Descriptor: | 5-methyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, GLYCEROL, MYRISTIC ACID, ... | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | Deposit date: | 2023-05-15 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
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8POJ
| TEAD2 in complex with an inhibitor | Descriptor: | 4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | Authors: | Guichou, J.F. | Deposit date: | 2023-07-05 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
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8PUY
| TEAD2 with a covalent inhibitor | Descriptor: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | Deposit date: | 2023-07-17 | Release date: | 2023-12-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration. Acs Med.Chem.Lett., 14, 2023
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8PUX
| TEAD2 with a covalent inhibitor | Descriptor: | MYRISTIC ACID, Transcriptional enhancer factor TEF-4, ~{N}-[2-[(3-pentoxyphenyl)amino]phenyl]propanamide | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | Deposit date: | 2023-07-17 | Release date: | 2023-12-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Development of HC-258, a Covalent Acrylamide TEAD Inhibitor That Reduces Gene Expression and Cell Migration. Acs Med.Chem.Lett., 14, 2023
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8PON
| TEAD2 in complex with an inhibitor | Descriptor: | 4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | Authors: | Guichou, J.F. | Deposit date: | 2023-07-05 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
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8POM
| TEAD2 in complex with an inhibitor | Descriptor: | 2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid, GLYCEROL, Transcriptional enhancer factor TEF-4 | Authors: | Guichou, J.F. | Deposit date: | 2023-07-05 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Development of LM-41 and AF-2112, two flufenamic acid-derived TEAD inhibitors obtained through the replacement of the trifluoromethyl group by aryl rings. Bioorg.Med.Chem.Lett., 95, 2023
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4JU4
| Crystal structure of hcv ns5b polymerase in complex with compound 22 | Descriptor: | 2-{[(4-bromo-2-fluorophenyl)sulfonyl]amino}-5-phenoxybenzoic acid, Genome polyprotein, MAGNESIUM ION | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay. Bioorg.Med.Chem.Lett., 23, 2013
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4JU6
| Crystal structure of hcv ns5b polymerase in complex with compound 24 | Descriptor: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid, Genome polyprotein, MAGNESIUM ION | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay. Bioorg.Med.Chem.Lett., 23, 2013
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4JU7
| Crystal structure of hcv ns5b polymerase in complex with compound 24 | Descriptor: | 2-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}-5-phenoxybenzoic acid, Genome polyprotein, MAGNESIUM ION | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay. Bioorg.Med.Chem.Lett., 23, 2013
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4JU3
| Crystal structure of hcv ns5b polymerase in complex with compound 8 | Descriptor: | 5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid, Genome polyprotein, MAGNESIUM ION | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay. Bioorg.Med.Chem.Lett., 23, 2013
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