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Pub. No.:    WO/2006/091673    International Application No.:    PCT/US2006/006286
Publication Date: 31.08.2006 International Filing Date: 23.02.2006
C12N 9/12 (2006.01), C12N 15/54 (2006.01), C12N 15/62 (2006.01), G01N 33/48 (2006.01), G06F 19/00 (2006.01)
Applicants: VERTEX PHARMACEUTICALS INCORPORATED [US/US]; 130 Waverly Street, Cambridge, Massachusetts 02139 (US) (For All Designated States Except US).
CHEETHAM, Graham [GB/GB]; (GB) (For US Only).
BROWN, Kieron [GB/GB]; (GB) (For US Only).
VIAL, Sarah [FR/GB]; (GB) (For US Only).
DEDI, Neesha [GB/GB]; (GB) (For US Only)
Inventors: CHEETHAM, Graham; (GB).
BROWN, Kieron; (GB).
VIAL, Sarah; (GB).
DEDI, Neesha; (GB)
Agent: DIXON, Lisa, A.; Vertex Pharmaceuticals Incorporated, 130 Waverly Street, Cambridge, Massachusetts 02139 (US)
Priority Data:
60/655,606 23.02.2005 US
Abstract: front page image
(EN)The invention relates to molecules or molecular complexes which comprise binding pockets of TAK1 or its structural homologues. The invention relates to crystallizable compositions and crystals comprising TAK1. The present invention also relates to a data storage medium encoded with the structural coordinates of molecules and molecular complexes which comprise the TAK1 or TAK1-like ATP-binding pockets. The present invention also relates to a computer comprising such data storage material. The computer may generate a three-dimensional structure or graphical three-dimensional representation of such molecules or molecular complexes. This invention also relates to methods of using the structure coordinates to solve the structure of homologous proteins or protein complexes. In addition, this invention relates to methods of using the structure coordinates to screen for and design compounds, including inhibitory compounds, that bind to TAK1 or homologues thereof.
(FR)L'invention concerne des molécules ou des complexes moléculaires qui comprennent des poches de liaison de TAK1 ou de ses homologues structuraux. Elle concerne également des compositions cristallisables et des cristaux comprenant TAK1; un support de stockage de données codé à l'aide des coordonnées structurales des molécules et des complexes moléculaires comprenant les poches de liaison d'ATP de TAK1 ou d'homologues de TAK1; un ordinateur comprenant cette matière de stockage de données. L'ordinateur produit une structure tridimensionnelle ou une représentation graphique tridimensionnelle des molécules ou des complexes moléculaires. L'invention concerne aussi des procédés d'utilisation des coordonnées structurales pour résoudre la structure des protéines homologues ou des complexes protéiniques; et des procédés d'utilisation des coordonnées structurales pour cribler et concevoir des composés, y compris des composés inhibiteurs, qui se lient à TAK1 ou à des homologues de cette protéine.
Designated States: AE, AG, AL, AM, AT, AU, AZ, BA, BB, BG, BR, BW, BY, BZ, CA, CH, CN, CO, CR, CU, CZ, DE, DK, DM, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, HR, HU, ID, IL, IN, IS, JP, KE, KG, KM, KN, KP, KR, KZ, LC, LK, LR, LS, LT, LU, LV, LY, MA, MD, MG, MK, MN, MW, MX, MZ, NA, NG, NI, NO, NZ, OM, PG, PH, PL, PT, RO, RU, SC, SD, SE, SG, SK, SL, SM, SY, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, YU, ZA, ZM, ZW.
African Regional Intellectual Property Organization (BW, GH, GM, KE, LS, MW, MZ, NA, SD, SL, SZ, TZ, UG, ZM, ZW)
Eurasian Patent Organization (AM, AZ, BY, KG, KZ, MD, RU, TJ, TM)
European Patent Office (AT, BE, BG, CH, CY, CZ, DE, DK, EE, ES, FI, FR, GB, GR, HU, IE, IS, IT, LT, LU, LV, MC, NL, PL, PT, RO, SE, SI, SK, TR)
African Intellectual Property Organization (BF, BJ, CF, CG, CI, CM, GA, GN, GQ, GW, ML, MR, NE, SN, TD, TG).
Publication Language: English (EN)
Filing Language: English (EN)