7ZJP

Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106

Summary for 7ZJP

• Entry DOI: 10.2210/pdb7zjp/pdb
• Descriptor: Transcriptional enhancer factor TEF-1, 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid, SULFATE ION, ... (4 entities in total)
• Functional Keywords: immunoglobulin-like fold, activator, disease mutation, dna-binding, nucleus, phosphoprotein, transcription, transcription regulation, transcription-protein binding complex
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 51928.74

Authors

Freire, F.,Heinrich, T.,Petersson, C.,Schneider, R.,Garg, S.,Schwarz, D.,Gunera, J.,Seshire, A.,Koetzner, L.,Schlesiger, S.,Musil, D.,Schilke, H.,Doerfel, B.,Diehl, P.,Boepple, P.,Lemos, A.R.,Sousa, P.M.F.,Freire, F.,Bandeiras, T.M.,Carswell, E.,Pearson, N.,Sirohi, S.,Hooker, M.,Trivier, E.,Broome, R.,Balsiger, A.,Crowden, A.,Dillon, C.,Wienke, D. (deposition date: 2022-04-11, release date: 2022-07-13, Last modification date: 2024-01-31)

• Primary citation: Heinrich, T.,Peterson, C.,Schneider, R.,Garg, S.,Schwarz, D.,Gunera, J.,Seshire, A.,Kotzner, L.,Schlesiger, S.,Musil, D.,Schilke, H.,Doerfel, B.,Diehl, P.,Bopple, P.,Lemos, A.R.,Sousa, P.M.F.,Freire, F.,Bandeiras, T.M.,Carswell, E.,Pearson, N.,Sirohi, S.,Hooker, M.,Trivier, E.,Broome, R.,Balsiger, A.,Crowden, A.,Dillon, C.,Wienke, D.; Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 .; J.Med.Chem., 65:9206-9229, 2022; PubMed: 35763499; DOI: 10.1021/acs.jmedchem.2c00403

Experimental method

X-RAY DIFFRACTION (2.19 Å)