1FBZ

Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity

Summary for 1FBZ

• Entry DOI: 10.2210/pdb1fbz/pdb
• Descriptor: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID (3 entities in total)
• Functional Keywords: sh2 domain, nonpeptide inhibitor, transferase
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P06239
• Total number of polymer chains: 2
• Total formula weight: 25107.77

Authors

Shakespeare, W.,Yang, M.,Bohacek, R.,Cerasoli, F.,Stebbis, K.,Sundaramoorthi, R.,Vu, C.,Pradeepan, S.,Metcalf, C.,Haraldson, C.,Merry, T.,Dalgarno, D.,Narula, S.,Hatada, M.,Lu, X.,Van Schravendijk, M.R.,Adams, S.,Violette, S.,Smith, J.,Guan, W.,Bartlett, C.,Herson, J.,Iuliucci, J.,Weigele, M.,Sawyer, T. (deposition date: 2000-07-17, release date: 2000-08-23, Last modification date: 2024-02-07)

• Primary citation: Shakespeare, W.,Yang, M.,Bohacek, R.,Cerasoli, F.,Stebbins, K.,Sundaramoorthi, R.,Azimioara, M.,Vu, C.,Pradeepan, S.,Metcalf, C.,Haraldson, C.,Merry, T.,Dalgarno, D.,Narula, S.,Hatada, M.,Lu, X.,van Schravendijk, M.R.,Adams, S.,Violette, S.,Smith, J.,Guan, W.,Bartlett, C.,Herson, J.,Iuliucci, J.,Weigele, M.,Sawyer, T.; Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity.; Proc.Natl.Acad.Sci.Usa, 97:9373-9378, 2000; PubMed: 10944210; DOI: 10.1073/pnas.97.17.9373

Experimental method

X-RAY DIFFRACTION (2.4 Å)