4AJO
rat LDHA in complex with 2-((4-(4-((3-((2-methyl-1,3-benzothiazol-6yl) amino)-3-oxo-propyl)amino)-4-oxo-butyl)phenyl)methyl)propanedioic acid
Summary for 4AJO
Entry DOI | 10.2210/pdb4ajo/pdb |
Related | 4AJ1 4AJ2 4AJ4 4AJE 4AJH 4AJI 4AJJ 4AJK 4AJL 4AJN 4AJP |
Descriptor | L-LACTATE DEHYDROGENASE A CHAIN, {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, ... (5 entities in total) |
Functional Keywords | oxidoreductase-inhibitor complex, fragment based lead generated inhibitors, oxidoreductase/inhibitor |
Biological source | RATTUS NORVEGICUS (NORWAY RAT) |
Cellular location | Cytoplasm: P04642 |
Total number of polymer chains | 4 |
Total formula weight | 147783.66 |
Authors | Tucker, J.A.,Brassington, C.,Hassall, G.,Watson, M.,Ward, R.,Tart, J.,Davies, G.,Caputo, A.,Pearson, S. (deposition date: 2012-02-16, release date: 2012-03-21, Last modification date: 2024-05-01) |
Primary citation | Ward, R.,Brassington, C.,Breeze, A.L.,Caputo, A.,Critchlow, S.,Davies, G.,Goodwin, L.,Hassall, G.,Greenwood, R.,Holdgate, G.,Mrosek, M.,Norman, R.A.,Pearson, S.,Tart, J.,Tucker, J.A.,Vogtherr, M.,Whittaker, D.,Wingfield, J.,Winter, J.,Hudson, K. The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55:3285-, 2012 Cited by PubMed: 22417091DOI: 10.1021/JM201734R PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.96 Å) |
Structure validation
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