X-ray structure of p38 bound to TAK-715: Comparison with three classic inhibitors

Acta Crystallographica Section D: Biological Crystallography

Volumn 68, Issue 8, 2012, Pages 1041-1050

  Azevedo, Rita ^a,b   Van Zeeland, Mario ^a,c   Raaijmakers, Hans ^a,c   Kazemier, Bert ^a   De Vlieg, Jacob ^a,b   Oubrie, Arthur ^a,c  

^a MERCK RESEARCH LABORATORIES   (United States)

^b RADBOUD UNIVERSITY MEDICAL CENTER   (Netherlands)

^c Lead Pharma Medicine   (Netherlands)

Author keywords

Inhibitor design; p38; Protein kinases; SB 203580; SCIO 469; Selectivity; Soaking; TAK 715; VX 745

Indexed keywords

4 (4 FLUOROPHENYL) 2 (4 METHYLSULFINYLPHENYL) 5 (4 PYRIDYL)IMIDAZOLE; 5 (2,6 DICHLOROPHENYL) 2 (2,4 DIFLUOROPHENYLTHIO)PYRIMIDO[1,6 B]PYRIDAZIN 6 ONE; ADENOSINE TRIPHOSPHATE; BENZAMIDE DERIVATIVE; IMIDAZOLE DERIVATIVE; INDOLE DERIVATIVE; LIGAND; MITOGEN ACTIVATED PROTEIN KINASE P38; N (4 (2 ETHYL 4 (3 METHYLPHENYL) 1,3 THIAZOL 5 YL) 2 PYRIDYL)BENZAMIDE; N-(4-(2-ETHYL-4-(3-METHYLPHENYL)-1,3-THIAZOL-5-YL)-2-PYRIDYL)BENZAMIDE; PROTEIN KINASE INHIBITOR; PYRIDAZINE DERIVATIVE; PYRIDINE DERIVATIVE; PYRIMIDINE DERIVATIVE; SCIO-469; TALMAPIMOD; THIAZOLE DERIVATIVE; VX-745;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; CRYSTALLIZATION; ENZYME ACTIVE SITE; HUMAN; METHODOLOGY; MOLECULAR CLONING; PROTEIN BINDING; PROTEIN CONFORMATION; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

ADENOSINE TRIPHOSPHATE; BENZAMIDES; CATALYTIC DOMAIN; CLONING, MOLECULAR; CRYSTALLIZATION; CRYSTALLOGRAPHY, X-RAY; HUMANS; IMIDAZOLES; INDOLES; LIGANDS; P38 MITOGEN-ACTIVATED PROTEIN KINASES; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN KINASE INHIBITORS; PYRIDAZINES; PYRIDINES; PYRIMIDINES; STRUCTURE-ACTIVITY RELATIONSHIP; THIAZOLES;

EID: 84864884966     PISSN: 09074449     EISSN: 13990047     Source Type: Journal    
DOI: 10.1107/S090744491201997X     Document Type: Article

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