6M08
| Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor. | Descriptor: | (2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | Authors: | Hu, H.C, Xu, Y.C. | Deposit date: | 2020-02-20 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
|
|
6CCQ
| |
6CHL
| Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | Descriptor: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-22 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|
6CHQ
| Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | Descriptor: | 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-22 | Release date: | 2018-04-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity. J. Med. Chem., 61, 2018
|
|
6M06
| Crystal structure of Lp-PLA2 in complex with a novel covalent inhibitor | Descriptor: | (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid, Platelet-activating factor acetylhydrolase | Authors: | Hu, H.C, Xu, Y.C. | Deposit date: | 2020-02-20 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Highly Selective Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) Inhibitors by a Covalent Fragment-Based Approach. J.Med.Chem., 63, 2020
|
|
6CHM
| |
6CCK
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | Descriptor: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|
5U16
| Structure of human MR1-2-OH-1-NA in complex with human MAIT A-F7 TCR | Descriptor: | 2-hydroxynaphthalene-1-carbaldehyde, Beta-2-microglobulin, CHLORIDE ION, ... | Authors: | Keller, A.N, Birkinshaw, R.W, Rossjohn, J. | Deposit date: | 2016-11-27 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells. Nat. Immunol., 18, 2017
|
|
5U6Q
| |
6CCN
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide | Descriptor: | (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|
6CCL
| Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine | Descriptor: | 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | Authors: | Mamo, M, Appleton, B.A. | Deposit date: | 2018-02-07 | Release date: | 2018-03-14 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
|
|
6CHP
| |
5U17
| |
5U2V
| |
4FF5
| |
3DNU
| structure of MDT protein | Descriptor: | CHLORIDE ION, PHOSPHATE ION, Protein hipA | Authors: | schumacher, M.A. | Deposit date: | 2008-07-02 | Release date: | 2009-01-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Molecular mechanisms of HipA-mediated multidrug tolerance and its neutralization by HipB. Science, 323, 2009
|
|
3LQ8
| Structure of the kinase domain of c-Met bound to XL880 (GSK1363089) | Descriptor: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2010-02-08 | Release date: | 2010-05-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Inhibition of tumor cell growth, invasion, and metastasis by EXEL-2880 (XL880, GSK1363089), a novel inhibitor of HGF and VEGF receptor tyrosine kinases. Cancer Res., 69, 2009
|
|
5W2C
| |
3EZ7
| |
3MKZ
| Structure of SopB(155-272)-18mer complex, P21 form | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*TP*GP*GP*GP*AP*CP*CP*AP*TP*GP*GP*TP*CP*CP*CP*AP*G)-3'), Protein sopB | Authors: | Schumacher, M.A. | Deposit date: | 2010-04-15 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Insight into F plasmid DNA segregation revealed by structures of SopB and SopB-DNA complexes. Nucleic Acids Res., 38, 2010
|
|
3EZ9
| Partition Protein | Descriptor: | MAGNESIUM ION, ParA | Authors: | Schumacher, M.A. | Deposit date: | 2008-10-22 | Release date: | 2009-06-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for ADP-mediated transcriptional regulation by P1 and P7 ParA. Embo J., 28, 2009
|
|
3M8F
| Protein structure of type III plasmid segregation TubR mutant | Descriptor: | Putative DNA-binding protein | Authors: | Schumacher, M.A, Ni, L. | Deposit date: | 2010-03-17 | Release date: | 2010-07-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | From the Cover: Plasmid protein TubR uses a distinct mode of HTH-DNA binding and recruits the prokaryotic tubulin homolog TubZ to effect DNA partition. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3M8K
| Protein structure of type III plasmid segregation TubZ | Descriptor: | FtsZ/tubulin-related protein | Authors: | Schumacher, M.A, Ni, L. | Deposit date: | 2010-03-18 | Release date: | 2010-07-07 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | From the Cover: Plasmid protein TubR uses a distinct mode of HTH-DNA binding and recruits the prokaryotic tubulin homolog TubZ to effect DNA partition. Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
3EZF
| Partition Protein | Descriptor: | ParA, SULFATE ION | Authors: | Schumacher, M.A. | Deposit date: | 2008-10-22 | Release date: | 2009-06-02 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for ADP-mediated transcriptional regulation by P1 and P7 ParA. Embo J., 28, 2009
|
|
3O52
| Structure of the E.coli GDP-mannose hydrolase (yffh) in complex with tartrate | Descriptor: | CHLORIDE ION, D(-)-TARTARIC ACID, GDP-mannose pyrophosphatase nudK, ... | Authors: | Amzel, L.M, Gabelli, S.B, Boto, A.N. | Deposit date: | 2010-07-27 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural studies of the Nudix GDP-mannose hydrolase from E. coli reveals a new motif for mannose recognition. Proteins, 79, 2011
|
|