WO2003060102A3 - Structures cristallines de complexes d'inhibition de la jnk et poches de liaison de ceux-ci - Google Patents

Structures cristallines de complexes d'inhibition de la jnk et poches de liaison de ceux-ci Download PDF

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Publication number
WO2003060102A3
WO2003060102A3 PCT/US2003/000899 US0300899W WO03060102A3 WO 2003060102 A3 WO2003060102 A3 WO 2003060102A3 US 0300899 W US0300899 W US 0300899W WO 03060102 A3 WO03060102 A3 WO 03060102A3
Authority
WO
WIPO (PCT)
Prior art keywords
relates
jnk3
binding pockets
methods
jnk
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Ceased
Application number
PCT/US2003/000899
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English (en)
Other versions
WO2003060102A2 (fr
Inventor
Xiaoling Xie
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Vertex Pharmaceuticals Inc
Original Assignee
Vertex Pharmaceuticals Inc
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Vertex Pharmaceuticals Inc filed Critical Vertex Pharmaceuticals Inc
Priority to AU2003212796A priority Critical patent/AU2003212796A1/en
Priority to EP03708827A priority patent/EP1476840A4/fr
Publication of WO2003060102A2 publication Critical patent/WO2003060102A2/fr
Publication of WO2003060102A3 publication Critical patent/WO2003060102A3/fr
Anticipated expiration legal-status Critical
Ceased legal-status Critical Current

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    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12N—MICROORGANISMS OR ENZYMES; COMPOSITIONS THEREOF; PROPAGATING, PRESERVING, OR MAINTAINING MICROORGANISMS; MUTATION OR GENETIC ENGINEERING; CULTURE MEDIA
    • C12N9/00—Enzymes; Proenzymes; Compositions thereof; Processes for preparing, activating, inhibiting, separating or purifying enzymes
    • C12N9/10—Transferases (2.)
    • C12N9/12—Transferases (2.) transferring phosphorus containing groups, e.g. kinases (2.7)
    • C12N9/1205—Phosphotransferases with an alcohol group as acceptor (2.7.1), e.g. protein kinases
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K2299/00—Coordinates from 3D structures of peptides, e.g. proteins or enzymes

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  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Chemical & Material Sciences (AREA)
  • Wood Science & Technology (AREA)
  • Molecular Biology (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Organic Chemistry (AREA)
  • Zoology (AREA)
  • Genetics & Genomics (AREA)
  • Medicinal Chemistry (AREA)
  • Microbiology (AREA)
  • Biotechnology (AREA)
  • Biochemistry (AREA)
  • General Engineering & Computer Science (AREA)
  • General Health & Medical Sciences (AREA)
  • Biomedical Technology (AREA)
  • Peptides Or Proteins (AREA)
  • Medicines That Contain Protein Lipid Enzymes And Other Medicines (AREA)

Abstract

L'invention concerne des molécules ou des complexes moléculaires cristallins comprenant des poches de liaison de la c-Jun N-terminal kinase 3 (JNK3) ou de ses homologues. L'invention concerne également des cristaux comprenant la JNK3 et un inhibiteur. La présente invention concerne en outre un ordinateur comprenant un support de stockage de données codé à l'aide des coordonnées structurelles des poches de liaison de la JNK3, et des procédés d'utilisation de l'ordinateur pour évaluer la capacité de liaison d'un composé à la molécule ou au complexe moléculaire. L'invention concerne également des procédés d'utilisation des coordonnées structurelles pour résoudre la structure des protéines ou des complexes protéiques homologues. De plus, l'invention concerne des procédés d'utilisation des coordonnées structurelles pour cribler, concevoir et optimiser les composés, y compris les agonistes et les antagonistes, de liaison à la JNK3 ou à ses homologues.
PCT/US2003/000899 2002-01-11 2003-01-10 Structures cristallines de complexes d'inhibition de la jnk et poches de liaison de ceux-ci Ceased WO2003060102A2 (fr)

Priority Applications (2)

Application Number Priority Date Filing Date Title
AU2003212796A AU2003212796A1 (en) 2002-01-11 2003-01-10 Crystal structures of jnk-inhibitor complexes and binding pockets thereof
EP03708827A EP1476840A4 (fr) 2002-01-11 2003-01-10 Structures cristallines de complexes d'inhibition de la jnk et poches de liaison de ceux-ci

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
US34800202P 2002-01-11 2002-01-11
US60/348,002 2002-01-11

Publications (2)

Publication Number Publication Date
WO2003060102A2 WO2003060102A2 (fr) 2003-07-24
WO2003060102A3 true WO2003060102A3 (fr) 2003-11-27

Family

ID=23366242

Family Applications (1)

Application Number Title Priority Date Filing Date
PCT/US2003/000899 Ceased WO2003060102A2 (fr) 2002-01-11 2003-01-10 Structures cristallines de complexes d'inhibition de la jnk et poches de liaison de ceux-ci

Country Status (3)

Country Link
EP (1) EP1476840A4 (fr)
AU (1) AU2003212796A1 (fr)
WO (1) WO2003060102A2 (fr)

Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6162613A (en) * 1998-02-18 2000-12-19 Vertex Pharmaceuticals, Inc. Methods for designing inhibitors of serine/threonine-kinases and tyrosine kinases

Family Cites Families (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6274738B1 (en) * 1996-03-22 2001-08-14 Geron Corporation Carboxamide derivatives having aryl and thiazole rings
US6147080A (en) * 1996-12-18 2000-11-14 Vertex Pharmaceuticals Incorporated Inhibitors of p38
AU3786899A (en) * 1998-05-04 1999-11-23 Vertex Pharmaceuticals Incorporated Crystallizable jnk complexes
AU5147700A (en) * 1999-05-19 2000-12-05 Amgen, Inc. Crystal of a lymphocyte kinase-ligand complex and methods of use
AU5316900A (en) * 1999-06-03 2000-12-28 Vertex Pharmaceuticals Incorporated Inhibitors of c-jun n-terminal kinases (jnk)
BR0013551A (pt) * 1999-08-13 2003-06-17 Vertex Pharma Inibidores de cinases n-terminal cjun (jnk) e outras cinases de proteìnas

Patent Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US6162613A (en) * 1998-02-18 2000-12-19 Vertex Pharmaceuticals, Inc. Methods for designing inhibitors of serine/threonine-kinases and tyrosine kinases

Non-Patent Citations (4)

* Cited by examiner, † Cited by third party
Title
1995, SPRINGER-VERLAG, article DRENTH J.: "Principles of protein X-ray crystallography", pages: 16, XP002965047 *
See also references of EP1476840A4 *
SERVICE R.F.: "Tapping DNA for structures produces a trickle", NEW FOCUS. SCIENCE, vol. 298, 1 November 2002 (2002-11-01), pages 948 - 950, XP002953236 *
XIE ET AL.: "Crystal structure of JNK3: a kinase implicated in neuronal apoptosis", STRUCTURE, vol. 6, August 1998 (1998-08-01), pages 983 - 991, XP002118848 *

Also Published As

Publication number Publication date
AU2003212796A1 (en) 2003-07-30
WO2003060102A2 (fr) 2003-07-24
AU2003212796A8 (en) 2003-07-30
EP1476840A2 (fr) 2004-11-17
EP1476840A4 (fr) 2007-05-09

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