4TYH
| Ternary complex of P38 and MK2 with a P38 inhibitor | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide | Authors: | Cumming, J.G, Debreczeni, J.E, Edfeldt, F, Evertsson, F, Harrison, M, Holdgate, G, James, M, Lamont, S, Oldham, K, Sullivan, J.E, Wells, S. | Deposit date: | 2014-07-08 | Release date: | 2015-07-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of substrate selective, ATP-competitive P38 alpha MAP kinase inhibitors To Be Published
|
|
7FVS
| Crystal Structure of S. aureus gyrase in complex with 4-[[1-[(1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methyl]azetidin-3-yl]methylamino]-6-fluorochromen-2-one | Descriptor: | 4-{[(1-{[(6R)-1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methyl}azetidin-3-yl)methyl]amino}-6-fluoro-2H-1-benzopyran-2-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Xu, B, Benz, J, Cumming, J.G, Kreis, L, Rudolph, M.G. | Deposit date: | 2023-04-18 | Release date: | 2023-06-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens. Acs Med.Chem.Lett., 14, 2023
|
|
7FVT
| Crystal Structure of S. aureus gyrase in complex with 6-[5-[2-[(4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one | Descriptor: | 6-{(5R)-5-[2-({[(2R)-4-chloro-2,3-dihydro-1H-inden-2-yl]methyl}amino)ethyl]-2-oxo-1,3-oxazolidin-3-yl}-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | Authors: | Xu, B, Benz, J, Cumming, J.G, Rudolph, M.G. | Deposit date: | 2023-04-18 | Release date: | 2023-06-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.081 Å) | Cite: | Discovery of a Series of Indane-Containing NBTIs with Activity against Multidrug-Resistant Gram-Negative Pathogens. Acs Med.Chem.Lett., 14, 2023
|
|
4AA4
| P38ALPHA MAP KINASE BOUND TO CMPD 22 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]PHENYL]FURAN-3-CARBOXAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
|
|
4A9Y
| P38ALPHA MAP KINASE BOUND TO CMPD 8 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-29 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
|
|
4AA5
| P38ALPHA MAP KINASE BOUND TO CMPD 33 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
|
|
4AA0
| P38ALPHA MAP KINASE BOUND TO CMPD 2 | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, N-[4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinazolin-3-yl]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-11-30 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
|
|
4AAC
| P38ALPHA MAP KINASE BOUND TO CMPD 29 | Descriptor: | CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2011-12-01 | Release date: | 2012-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
|
|
3Q2H
| Adamts1 in complex with N-hydroxyformamide inhibitors of ADAM-TS4 | Descriptor: | A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2010-12-20 | Release date: | 2011-03-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis Bioorg.Med.Chem.Lett., 21, 2011
|
|
3Q2G
| Adamts1 in complex with a novel N-hydroxyformamide inhibitors | Descriptor: | A disintegrin and metalloproteinase with thrombospondin motifs 1, CADMIUM ION, MAGNESIUM ION, ... | Authors: | Gerhardt, S, Hargreaves, D. | Deposit date: | 2010-12-20 | Release date: | 2011-03-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis Bioorg.Med.Chem.Lett., 21, 2011
|
|