4I9N

Crystal structure of rabbit LDHA in complex with AP28161 and AP28122

Summary for 4I9N

• Entry DOI: 10.2210/pdb4i9n/pdb
• Related: 4I8x 4I9H 4I9U
• Descriptor: L-lactate dehydrogenase A chain, 6-({2-[(5-chloro-4-{[(2S)-2,3-dihydroxypropyl]oxy}-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid, 6-[3-(carboxymethoxy)-5-fluorophenyl]pyridine-3-carboxylic acid, ... (4 entities in total)
• Functional Keywords: cancer, fragment, inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Oryctolagus cuniculus (rabbit)
• Cellular location: Cytoplasm: P13491
• Total number of polymer chains: 8
• Total formula weight: 297723.82

Authors

Zhou, T.,Kohlmann, A.,Stephan, Z.G.,Li, F.,Commodore, L.,Greenfield, M.T.,Shakespeare, W.C.,Zhu, X.,Dalgarno, D.C. (deposition date: 2012-12-05, release date: 2013-01-23, Last modification date: 2023-09-20)

• Primary citation: Kohlmann, A.,Zech, S.G.,Li, F.,Zhou, T.,Squillace, R.M.,Commodore, L.,Greenfield, M.T.,Lu, X.,Miller, D.P.,Huang, W.S.,Qi, J.,Thomas, R.M.,Wang, Y.,Zhang, S.,Dodd, R.,Liu, S.,Xu, R.,Xu, Y.,Miret, J.J.,Rivera, V.,Clackson, T.,Shakespeare, W.C.,Zhu, X.,Dalgarno, D.C.; Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.; J.Med.Chem., 56:1023-1040, 2013; PubMed: 23302067; DOI: 10.1021/jm3014844

Experimental method

X-RAY DIFFRACTION (2.35 Å)