4B1F
| Design of Inhibitors of Helicobacter pylori Glutamate Racemase as Selective Antibacterial Agents: Incorporation of Imidazoles onto a Core Pyrazolopyrimidinedione Scaffold to Improve Bioavailabilty | Descriptor: | 5-methyl-3-(1-methyl-1H-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, D-GLUTAMIC ACID, GLUTAMATE RACEMASE | Authors: | Basarab, G.S, Hill, P, Eyermann, C.J, Gowravaram, M, Kack, H, Osimoni, E. | Deposit date: | 2012-07-10 | Release date: | 2012-07-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design of Inhibitors of Helicobacter Pylori Glutamate Racemase as Selective Antibacterial Agents: Incorporation of Imidazoles Onto a Core Pyrazolopyrimidinedione Scaffold to Improve Bioavailabilty. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4CSJ
| The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation | Descriptor: | 1,2-ETHANEDIOL, GLUCOCORTICOID RECEPTOR, N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide, ... | Authors: | Edman, K, Ahlgren, R, Bengtsson, M, Bladh, H, Backstrom, S, Dahmen, J, Henriksson, K, Hillertz, P, Hulikal, V, Jerre, A, Kinchin, L, Kase, C, Lepisto, M, Mile, I, Nilsson, S, Smailagic, A, Taylor, J, Tjornebo, A, Wissler, L, Hansson, T. | Deposit date: | 2014-03-07 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Discovery of Potent and Selective Non-Steroidal Glucocorticoid Receptor Modulators, Suitable for Inhalation. Bioorg.Med.Chem.Lett., 24, 2014
|
|
3MRR
| Crystal Structure of MHC class I HLA-A2 molecule complexed with Human Prostaglandin Transporter decapeptide | Descriptor: | 10-meric peptide from Solute carrier organic anion transporter family member 2A1, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Reiser, J.-B, Machillot, P, Chouquet, A, Debeaupuis, E, Echasserieau, K, Legoux, F, Saulquin, X, Bonneville, M, Housset, D. | Deposit date: | 2010-04-29 | Release date: | 2011-05-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Analysis of Relationships between Peptide/MHC Structural Features and Naive T Cell Frequency in Humans. J.Immunol., 193, 2014
|
|
5G43
| Ligand complex of RORg LBD | Descriptor: | 2-(1-PIPERIDINYL)-1,3-THIAZOL-4-AMINE, NUCLEAR RECEPTOR ROR-GAMMA, RORG | Authors: | Xue, Y, Guo, H, Hillertz, P. | Deposit date: | 2016-05-04 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
|
|
5G44
| Ligand complex of RORg LBD | Descriptor: | (4-pyrimidin-5-ylphenyl)methanol, 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, ... | Authors: | Xue, Y, Guo, H, Hillertz, P. | Deposit date: | 2016-05-04 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
|
|
5G46
| Ligand complex of RORg LBD | Descriptor: | 2-ETHYL-4(1H)-QUINOLINONE, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ... | Authors: | Xue, Y, Guo, H, Hillertz, P. | Deposit date: | 2016-05-04 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
|
|
5G45
| Ligand complex of RORg LBD | Descriptor: | 8-AMINO-3-QUINOLINOL, DIMETHYL SULFOXIDE, NUCLEAR RECEPTOR ROR-GAMMA, ... | Authors: | Xue, Y, Guo, H, Hillertz, P. | Deposit date: | 2016-05-04 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
|
|
4AJF
| Identification and structural characterization of PDE10 fragment inhibitors | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
|
|
4AJM
| Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | Descriptor: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | Authors: | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors To be Published
|
|
4AJD
| Identification and structural characterization of PDE10 fragment inhibitors | Descriptor: | 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
|
|
5G42
| Ligand complex of RORg LBD | Descriptor: | 5-chloranyl-2,3-dihydroindole-1-carboxamide, NUCLEAR RECEPTOR ROR-GAMMA, RORG, ... | Authors: | Xue, Y, Guo, H, Hillertz, P. | Deposit date: | 2016-05-04 | Release date: | 2016-08-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Fragment Screening of Rorgammat Using Cocktail Crystallography: Identification of Simultaneous Binding of Multiple Fragments. Chemmedchem, 11, 2016
|
|
4AJG
| Identification and structural characterization of PDE10 fragment inhibitors | Descriptor: | CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, MAGNESIUM ION, ... | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | Deposit date: | 2012-02-16 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors To be Published
|
|
3GSU
| Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5T peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5T (NLVPTVATV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
|
|
3GSN
| Crystal structure of the public RA14 TCR in complex with the HCMV dominant NLV/HLA-A2 epitope | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, HCMV pp65 fragment 495-503 (NLVPMVATV), ... | Authors: | Gras, S, Saulquin, X, Reiser, J.-B, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
|
|
3GSW
| Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8A peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8A (NLVPMVAAV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
|
|
3GMD
| Structure-based design of 7-Azaindole-pyrrolidines as inhibitors of 11beta-Hydroxysteroid-Dehydrogenase type I | Descriptor: | 2-methyl-3-{(3S)-1-[(1-pyridin-2-ylcyclopropyl)carbonyl]pyrrolidin-3-yl}-1H-pyrrolo[2,3-b]pyridine, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Valeur, E, Lepifre, F, Roche, D, Christmann-Franck, S, Hillertz, P, Musil, D. | Deposit date: | 2009-03-13 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11 beta-hydroxysteroid dehydrogenase type I. Bioorg.Med.Chem.Lett., 22, 2012
|
|
3GSR
| Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5V peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5V (NLVPVVATV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
|
|
3GSV
| Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5Q peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5Q (NLVPQVATV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
|
|
3GSX
| Crystal structure of the binary complex between HLA-A2 and HCMV NLV-T8V peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant T8V (NLVPMVAVV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
|
|
4BTJ
| TTBK1 in complex with ATP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ... | Authors: | Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N. | Deposit date: | 2013-06-18 | Release date: | 2013-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors. Chemmedchem, 8, 2013
|
|
3GSO
| Crystal structure of the binary complex between HLA-A2 and HCMV NLV peptide | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503 (NLVPMVATV), HLA class I histocompatibility antigen, ... | Authors: | Gras, S, Saulquin, X, Reiser, J.-B, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
|
|
3GSQ
| Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5S peptide variant | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5S (NLVPSVATV), ... | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | Deposit date: | 2009-03-27 | Release date: | 2009-08-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope. J.Immunol., 183, 2009
|
|
4BTM
| TTBK1 in complex with inhibitor | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ... | Authors: | Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N. | Deposit date: | 2013-06-18 | Release date: | 2013-09-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors. Chemmedchem, 8, 2013
|
|
4BTK
| TTBK1 in complex with inhibitor | Descriptor: | 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE, DIMETHYL SULFOXIDE, TAU-TUBULIN KINASE 1 | Authors: | Xue, Y, Wan, P, Hillertz, P, Schweikart, F, Zhao, Y, Wissler, L, Dekker, N. | Deposit date: | 2013-06-18 | Release date: | 2013-09-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structural Analysis of Tau-Tubulin Kinase 1 and its Interactions with Small Molecular Inhibitors. Chemmedchem, 8, 2013
|
|
4B2D
| human PKM2 with L-serine and FBP bound. | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVATE KINASE ISOZYMES M1/M2, ... | Authors: | Chaneton, B, Hillmann, P, Zheng, L, Martin, A.C.L, Maddocks, O.D.K, Chokkathukalam, A, Coyle, J.E, Jankevics, A, Holding, F.P, Vousden, K.H, Frezza, C, O'Reilly, M, Gottlieb, E. | Deposit date: | 2012-07-13 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Serine is a natural ligand and allosteric activator of pyruvate kinase M2. Nature, 491, 2012
|
|