8RXL
 
 | | TEAD2 with an inhibitor | | Descriptor: | 4-(5-phenylmethoxy-1~{H}-indol-3-yl)butan-2-one, GLYCEROL, Transcriptional enhancer factor TEF-4 | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2024-02-07 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | TEAD2 with an inhibitor
To Be Published
|
|
8RXV
 | | TEAD2 with an inhibitor | | Descriptor: | Transcriptional enhancer factor TEF-4, ~{N}-[2-(5-phenylmethoxy-1~{H}-indol-3-yl)ethyl]methanesulfonamide | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2024-02-08 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | TEAD2 with an inhibitor
To Be Published
|
|
8RYC
 | | TEAD2 with an inhibitor | | Descriptor: | 5-phenylmethoxy-1~{H}-indole, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2024-02-08 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | TEAD2 with an inhibitor
To Be Published
|
|
8RXQ
 | | TEAD2 with an inhibitor | | Descriptor: | Transcriptional enhancer factor TEF-4, ethyl (~{E})-3-(5-phenylmethoxy-1~{H}-indol-3-yl)prop-2-enoate | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2024-02-07 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | TEAD2 with an inhibitor
To Be Published
|
|
8RXP
 | | TEAD2 with an inhibitor | | Descriptor: | 2-(5-phenylmethoxy-1~{H}-indol-3-yl)ethanol, Transcriptional enhancer factor TEF-4 | | Authors: | Guichou, J.F, Gelin, M, Allemand, F. | | Deposit date: | 2024-02-07 | | Release date: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | TEAD2 with an inhibitor
To Be Published
|
|
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
|
|
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
|
|
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 | | Last modified: | 2024-10-23 | | 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
|
|
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
|
|
4OOW
 | | HCV NS5B polymerase with a fragment of quercetagetin | | Descriptor: | CATECHOL, RNA-directed RNA polymerase | | Authors: | Guichou, J.F, Ahmed-Belkacem, A, Rozenn, B, Nazim, N, Hernandez, E, Pallier, C, Pawlotsky, J.M. | | Deposit date: | 2014-02-04 | | Release date: | 2014-12-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Inhibition of RNA binding to hepatitis C virus RNA-dependent RNA polymerase: a new mechanism for antiviral intervention.
Nucleic Acids Res., 42, 2014
|
|
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: | 2024-11-06 | | 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
|
|
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: | 2024-10-23 | | 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
|
|
4K7I
 | | HUMAN PEROXIREDOXIN 5 with a fragment | | Descriptor: | CATECHOL, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ... | | Authors: | Guichou, J.F. | | Deposit date: | 2013-04-17 | | Release date: | 2014-04-23 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
|
|
4MMM
 | | Human Pdrx5 complex with a ligand BP7 | | Descriptor: | 1,1'-BIPHENYL-3,4-DIOL, Peroxiredoxin-5, mitochondrial | | Authors: | Guichou, J.F. | | Deposit date: | 2013-09-09 | | Release date: | 2014-07-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
|
|
4K7O
 | | HUMAN PEROXIREDOXIN 5 with a fragment | | Descriptor: | 4-tert-butylbenzene-1,2-diol, DIMETHYL SULFOXIDE, Peroxiredoxin-5, ... | | Authors: | Guichou, J.F. | | Deposit date: | 2013-04-17 | | Release date: | 2014-04-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
|
|
4K7N
 | | HUMAN PEROXIREDOXIN 5 with a fragment | | Descriptor: | 4-METHYLCATECHOL, Peroxiredoxin-5, mitochondrial | | Authors: | Guichou, J.F. | | Deposit date: | 2013-04-17 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Comparing Binding Modes of Analogous Fragments Using NMR in Fragment-Based Drug Design: Application to PRDX5
Plos One, 9, 2014
|
|
7OYJ
 | |
8C5Q
 | | CK2 kinase bound to inhibitor AB668 | | Descriptor: | 2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Krimm, I, Guichou, J.F. | | Deposit date: | 2023-01-10 | | Release date: | 2024-01-24 | | Last modified: | 2025-02-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Cancer selective cell death induction by a bivalent CK2 inhibitor targeting the ATP site and the allosteric alpha D pocket.
Iscience, 27, 2024
|
|
1XDK
 | | Crystal Structure of the RARbeta/RXRalpha Ligand Binding Domain Heterodimer in Complex with 9-cis Retinoic Acid and a Fragment of the TRAP220 Coactivator | | Descriptor: | (9cis)-retinoic acid, Retinoic acid receptor RXR-alpha, Retinoic acid receptor, ... | | Authors: | Pogenberg, V, Guichou, J.F, Vivat-Hannah, V, Kammerer, S, Perez, E, Germain, P, De Lera, A.R, Gronemeyer, H, Royer, C.A, Bourguet, W. | | Deposit date: | 2004-09-07 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | CHARACTERIZATION OF THE INTERACTION BETWEEN RAR/RXR HETERODIMERS AND TRANSCRIPTIONAL COACTIVATORS THROUGH STRUCTURAL AND FLUORESCENCE ANISOTROPY STUDIES
J.Biol.Chem., 280, 2005
|
|
6S66
 | | Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor | | Descriptor: | 1-(2-azanylethyl)-3-(3,4-dichlorophenyl)-~{N}-(phenylmethyl)pyrazole-4-carboxamide, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | | Authors: | Sturbaut, M, Allemand, F, Guichou, J.F. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
|
|
4J5B
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
|
|
4J59
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(naphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities.
Nat Commun, 7, 2016
|
|
4J5A
 | | Human Cyclophilin D Complexed with an Inhibitor | | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase F, ... | | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | | Deposit date: | 2013-02-08 | | Release date: | 2014-02-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Rationnal Design of small-molecule inhibitors of human Cyclophilins and HCV replication.
to be published
|
|
6S69
 | | Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor | | Descriptor: | 3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | | Authors: | Sturbaut, M, Allemand, F, Guichou, J.F. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
|
|
6S64
 | | Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor | | Descriptor: | 3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid, MYRISTIC ACID, PALMITIC ACID, ... | | Authors: | Sturbaut, M, Allemand, F, Guichou, J.F. | | Deposit date: | 2019-07-02 | | Release date: | 2020-07-22 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
|
|
