1TFT

NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP

Summary for 1TFT

• Entry DOI: 10.2210/pdb1tft/pdb
• Related: 1g3f 1tfq
• Descriptor: Baculoviral IAP repeat-containing protein 4, ZINC ION, 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE (3 entities in total)
• Functional Keywords: complex, ligand-protein, apoptosis, bir, xiap
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P98170
• Total number of polymer chains: 1
• Total formula weight: 14025.05

Authors

Oost, T.K.,Sun, C.,Armstrong, R.C.,Al-Assaad, A.S.,Betz, S.F.,Deckwerth, T.L.,Elmore, S.W.,Meadows, R.P.,Olejniczak, E.T.,Oleksijew, A.K.,Oltersdorf, T.,Rosenberg, S.H.,Shoemaker, A.R.,Zou, H.,Fesik, S.W. (deposition date: 2004-05-27, release date: 2005-05-03, Last modification date: 2022-03-02)

• Primary citation: Oost, T.K.,Sun, C.,Armstrong, R.C.,Al-Assaad, A.S.,Betz, S.F.,Deckwerth, T.L.,Ding, H.,Elmore, S.W.,Meadows, R.P.,Olejniczak, E.T.,Oleksijew, A.K.,Oltersdorf, T.,Rosenberg, S.H.,Shoemaker, A.R.,Tomaselli, K.J.,Zou, H.,Fesik, S.W.; Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer.; J.Med.Chem., 47:4417-4426, 2004; PubMed: 15317454; DOI: 10.1021/jm040037k

Experimental method

SOLUTION NMR