6S60
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![BU of 6s60 by Molmil](/molmil-images/mine/6s60) | Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor | Descriptor: | 4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic 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: | 2024-01-24 | Method: | X-RAY DIFFRACTION (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
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6S66
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![BU of 6s66 by Molmil](/molmil-images/mine/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: | 2022-02-02 | 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
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5C4K
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![BU of 5c4k by Molmil](/molmil-images/mine/5c4k) | APH(2")-IVa in complex with GET (G418) at room temperature | Descriptor: | APH(2'')-Id, GENETICIN | Authors: | Kaplan, E, Guichou, J.F, Berrou, K, Chaloin, L, Leban, N, Lallemand, P, Barman, T, Serpersu, E.H, Lionne, C. | Deposit date: | 2015-06-18 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Aminoglycoside binding and catalysis specificity of aminoglycoside 2-phosphotransferase IVa: A thermodynamic, structural and kinetic study. Biochim.Biophys.Acta, 1860, 2016
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5C4L
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![BU of 5c4l by Molmil](/molmil-images/mine/5c4l) | Conformational alternate of sisomicin in complex with APH(2")-IVa | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, (2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol, APH(2'')-Id | Authors: | Kaplan, E, Guichou, J.F, Berrou, K, Chaloin, L, Leban, N, Lallemand, P, Barman, T, Serpersu, E.H, Lionne, C. | Deposit date: | 2015-06-18 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Aminoglycoside binding and catalysis specificity of aminoglycoside 2-phosphotransferase IVa: A thermodynamic, structural and kinetic study. Biochim.Biophys.Acta, 1860, 2016
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3RDC
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![BU of 3rdc by Molmil](/molmil-images/mine/3rdc) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-04-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XP3
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![BU of 4xp3 by Molmil](/molmil-images/mine/4xp3) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XNE
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![BU of 4xne by Molmil](/molmil-images/mine/4xne) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-15 | Release date: | 2015-08-12 | Last modified: | 2015-08-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XP2
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![BU of 4xp2 by Molmil](/molmil-images/mine/4xp2) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XN6
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![BU of 4xn6 by Molmil](/molmil-images/mine/4xn6) | Crystal structure at room temperature of hen-egg lysozyme in complex with benzamidine | Descriptor: | BENZAMIDINE, Lysozyme C | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-15 | Release date: | 2015-08-12 | Last modified: | 2021-08-04 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XOZ
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![BU of 4xoz by Molmil](/molmil-images/mine/4xoz) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XRL
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![BU of 4xrl by Molmil](/molmil-images/mine/4xrl) | Crystal structure at room temperature of Erk2 in complex with an inhibitor | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-21 | Release date: | 2016-03-23 | Last modified: | 2016-03-30 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | Combining 'dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XNC
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![BU of 4xnc by Molmil](/molmil-images/mine/4xnc) | Crystal structure at room temperature of cyclophilin D in complex with an inhibitor | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-15 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XOY
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![BU of 4xoy by Molmil](/molmil-images/mine/4xoy) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 2-amino-1,9-dihydro-6H-purine-6-thione, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XRJ
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![BU of 4xrj by Molmil](/molmil-images/mine/4xrj) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-21 | Release date: | 2015-08-12 | Last modified: | 2015-08-19 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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4XP0
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![BU of 4xp0 by Molmil](/molmil-images/mine/4xp0) | Crystal structure of ERK2 in complex with an inhibitor | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | Authors: | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
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3R4G
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![BU of 3r4g by Molmil](/molmil-images/mine/3r4g) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | 4-sulfamoylbenzoic acid, GLYCEROL, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-17 | Release date: | 2012-03-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3R57
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![BU of 3r57 by Molmil](/molmil-images/mine/3r57) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | GLYCEROL, N-(3-aminophenyl)acetamide, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-18 | Release date: | 2012-03-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3RCF
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![BU of 3rcf by Molmil](/molmil-images/mine/3rcf) | Human cyclophilin D complexed with N-[(4-aminophenyl)sulfonyl]benzamide | Descriptor: | N-[(4-aminophenyl)sulfonyl]benzamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-31 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3RCL
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![BU of 3rcl by Molmil](/molmil-images/mine/3rcl) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | 3-(1,3-oxazol-5-yl)aniline, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-31 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3R49
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![BU of 3r49 by Molmil](/molmil-images/mine/3r49) | Human cyclophilin D complexed with quinolin-8-amine | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, quinolin-8-amine | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-17 | Release date: | 2012-03-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3RD9
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![BU of 3rd9 by Molmil](/molmil-images/mine/3rd9) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | 3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonamide, DI(HYDROXYETHYL)ETHER, Peptidyl-prolyl cis-trans isomerase F, ... | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-04-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3RCK
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![BU of 3rck by Molmil](/molmil-images/mine/3rck) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, piperazine-1-carbaldehyde | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-31 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3RCI
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![BU of 3rci by Molmil](/molmil-images/mine/3rci) | Human cyclophilin D complexed with 5-methyl-1,2-oxazol-3-amine | Descriptor: | 5-methyl-1,2-oxazol-3-amine, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-31 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3RDD
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![BU of 3rdd by Molmil](/molmil-images/mine/3rdd) | Human Cyclophilin A Complexed with an Inhibitor | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, ethyl N-[(4-aminobenzyl)carbamoyl]glycinate | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-04-01 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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3R54
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![BU of 3r54 by Molmil](/molmil-images/mine/3r54) | Human Cyclophilin D Complexed with a Fragment | Descriptor: | Peptidyl-prolyl cis-trans isomerase F, mitochondrial, pyrrolidine-1-carbaldehyde | Authors: | Colliandre, L, Ahmed-Belkacem, H, Bessin, Y, Pawlotsky, J.M, Guichou, J.F. | Deposit date: | 2011-03-18 | Release date: | 2012-03-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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