ITMI20092117A1 - Struttura del cristallo del complesso di timidilato sintetasi (ts) con un ligando - Google Patents

Struttura del cristallo del complesso di timidilato sintetasi (ts) con un ligando Download PDF

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Publication number
ITMI20092117A1
ITMI20092117A1 IT002117A ITMI20092117A ITMI20092117A1 IT MI20092117 A1 ITMI20092117 A1 IT MI20092117A1 IT 002117 A IT002117 A IT 002117A IT MI20092117 A ITMI20092117 A IT MI20092117A IT MI20092117 A1 ITMI20092117 A1 IT MI20092117A1
Authority
IT
Italy
Prior art keywords
ligand
hts
protein
complex
binding site
Prior art date
Application number
IT002117A
Other languages
English (en)
Italian (it)
Inventor
Maria Paola Costi
Stefania Ferrari
Giambattista Guaitoli
Stefano Mangani
Cecilia Pozzi
Original Assignee
Univ Degli Studi Modena E Reggio Emilia
Univ Siena
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 Univ Degli Studi Modena E Reggio Emilia, Univ Siena filed Critical Univ Degli Studi Modena E Reggio Emilia
Priority to IT002117A priority Critical patent/ITMI20092117A1/it
Priority to PCT/IB2010/055503 priority patent/WO2011067715A1/fr
Publication of ITMI20092117A1 publication Critical patent/ITMI20092117A1/it

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Classifications

    • C—CHEMISTRY; METALLURGY
    • C12—BIOCHEMISTRY; BEER; SPIRITS; WINE; VINEGAR; MICROBIOLOGY; ENZYMOLOGY; MUTATION OR GENETIC ENGINEERING
    • C12Y—ENZYMES
    • C12Y201/00—Transferases transferring one-carbon groups (2.1)
    • C12Y201/01—Methyltransferases (2.1.1)
    • C12Y201/01045—Thymidylate synthase (2.1.1.45)
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G16B15/30—Drug targeting using structural data; Docking or binding prediction
    • 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.)
    • C12N9/1003—Transferases (2.) transferring one-carbon groups (2.1)
    • C12N9/1007—Methyltransferases (general) (2.1.1.)
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/50—Molecular design, e.g. of drugs
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K2299/00—Coordinates from 3D structures of peptides, e.g. proteins or enzymes
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment

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  • Chemical & Material Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Engineering & Computer Science (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Health & Medical Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Physics & Mathematics (AREA)
  • Organic Chemistry (AREA)
  • Medicinal Chemistry (AREA)
  • Theoretical Computer Science (AREA)
  • Genetics & Genomics (AREA)
  • Biotechnology (AREA)
  • Zoology (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Wood Science & Technology (AREA)
  • Pharmacology & Pharmacy (AREA)
  • Medical Informatics (AREA)
  • General Engineering & Computer Science (AREA)
  • Biochemistry (AREA)
  • Biophysics (AREA)
  • Evolutionary Biology (AREA)
  • Computing Systems (AREA)
  • Molecular Biology (AREA)
  • Biomedical Technology (AREA)
  • Microbiology (AREA)
  • Enzymes And Modification Thereof (AREA)
  • Peptides Or Proteins (AREA)
IT002117A 2009-12-01 2009-12-01 Struttura del cristallo del complesso di timidilato sintetasi (ts) con un ligando ITMI20092117A1 (it)

Priority Applications (2)

Application Number Priority Date Filing Date Title
IT002117A ITMI20092117A1 (it) 2009-12-01 2009-12-01 Struttura del cristallo del complesso di timidilato sintetasi (ts) con un ligando
PCT/IB2010/055503 WO2011067715A1 (fr) 2009-12-01 2010-11-30 Structure cristalline d'un complexe de thymidylate synthase (ts) avec un ligand

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
IT002117A ITMI20092117A1 (it) 2009-12-01 2009-12-01 Struttura del cristallo del complesso di timidilato sintetasi (ts) con un ligando

Publications (1)

Publication Number Publication Date
ITMI20092117A1 true ITMI20092117A1 (it) 2011-06-02

Family

ID=42055656

Family Applications (1)

Application Number Title Priority Date Filing Date
IT002117A ITMI20092117A1 (it) 2009-12-01 2009-12-01 Struttura del cristallo del complesso di timidilato sintetasi (ts) con un ligando

Country Status (2)

Country Link
IT (1) ITMI20092117A1 (fr)
WO (1) WO2011067715A1 (fr)

Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2002072753A2 (fr) * 2001-03-07 2002-09-19 The Government Of The United States Of America As Represented By The Secretary Of The Department Of Health And Human Services Peptides de thymidylate synthase se fixant a l'arnm de la thymidylate synthase

Patent Citations (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2002072753A2 (fr) * 2001-03-07 2002-09-19 The Government Of The United States Of America As Represented By The Secretary Of The Department Of Health And Human Services Peptides de thymidylate synthase se fixant a l'arnm de la thymidylate synthase

Non-Patent Citations (7)

* Cited by examiner, † Cited by third party
Title
BERGER S H ET AL: "Effects of ligand binding and conformational switching on intracellular stability of human thymidylate synthase", BIOCHIMICA ET BIOPHYSICA ACTA (BBA) - PROTEINS & PROTEOMICS, ELSEVIER LNKD- DOI:10.1016/J.BBAPAP.2003.09.005, vol. 1696, no. 1, 14 January 2004 (2004-01-14), pages 15 - 22, XP004483641, ISSN: 1570-9639 *
GIBSON LYDIA M ET AL: "The R163K mutant of human thymidylate synthase is stabilized in an active conformation: Structural asymmetry and reactivity of cysteine 195", BIOCHEMISTRY, vol. 47, no. 16, April 2008 (2008-04-01), pages 4636 - 4643, XP002577032, ISSN: 0006-2960 *
LOVELACE LESLIE L ET AL: "Structure of human thymidylate synthase under low-salt conditions", ACTA CRYSTALLOGRAPHICA SECTION D: BIOLOGICAL CRYSTALLOGRAPHY, MUNKSGAARD PUBLISHERS LTD. COPENHAGEN, DK LNKD- DOI:10.1107/S0907444905005895, vol. 61, no. 5, 1 May 2005 (2005-05-01), pages 622 - 627, XP008121213, ISSN: 0907-4449 *
LOVELACE LESLIE L ET AL: "Variants of human thymidylate synthase with loop 181-197 stabilized in the inactive conformation", PROTEIN SCIENCE,, vol. 18, no. 8, 1 August 2009 (2009-08-01), pages 1628 - 1636, XP002574294 *
PRASANNA V ET AL: "Synthetic interface peptides as inactivators of multimeric enzymes: inhibitory and conformational properties of three fragments from Lactobacillus casei thymidylate synthase", BIOCHEMISTRY 12 MAY 1998,, vol. 37, no. 19, 12 May 1998 (1998-05-12), pages 6883 - 6893, XP002574293 *
SOTRIFFER CHRISTOPH ET AL: "Identification and mapping of small-molecule binding sites in proteins: Computational tools for structure-based drug design.", FARMACO (LAUSANNE), vol. 57, no. 3, March 2002 (2002-03-01), pages 243 - 251, XP002577118, ISSN: 0014-827X *
VOELLER D M ET AL: "The identification of thymidylate synthase peptide domains located in the interface region that bind thymidylate synthase mRNA", BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, ACADEMIC PRESS INC. ORLANDO, FL, US LNKD- DOI:10.1016/S0006-291X(02)02080-6, vol. 297, 1 July 2002 (2002-07-01), pages 24 - 31, XP002984377, ISSN: 0006-291X *

Also Published As

Publication number Publication date
WO2011067715A1 (fr) 2011-06-09

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