Literature DB >> 25516793

Crystal Structure of Sphingosine Kinase 1 with PF-543.

Jing Wang1, Stefan Knapp2, Nigel J Pyne3, Susan Pyne3, Jonathan M Elkins1.   

Abstract

The most potent inhibitor of Sphingosine Kinase 1 (SPHK1) so far identified is PF-543. The crystal structure of SPHK1 in complex with inhibitor PF-543 to 1.8 Å resolution reveals the inhibitor bound in a bent conformation analogous to that expected of a bound sphingosine substrate but with a rotated head group. The structural data presented will aid in the design of SPHK1 and SPHK2 inhibitors with improved properties.

Entities:  

Keywords:  PF-543; S1P; SPHK1; SPHK2; lipid; sphingosine

Year:  2014        PMID： 25516793      PMCID： PMC4265818          DOI： 10.1021/ml5004074

Source DB:  PubMed          Journal:  ACS Med Chem Lett        ISSN： 1948-5875            Impact factor:   4.345


  35 in total

Review 1.  A mechanistically novel, first oral therapy for multiple sclerosis: the development of fingolimod (FTY720, Gilenya).

Authors:  Jerold Chun; Volker Brinkmann
Journal:  Discov Med       Date:  2011-09       Impact factor: 2.970

Review 2.  Targeting the sphingosine-1-phosphate axis in cancer, inflammation and beyond.

Authors:  Gregory T Kunkel; Michael Maceyka; Sheldon Milstien; Sarah Spiegel
Journal:  Nat Rev Drug Discov       Date:  2013-08-19       Impact factor: 84.694

3.  Synthesis and bioactivity of sphingosine kinase inhibitors and their novel aspirinyl conjugated analogs.

Authors:  Arun K Sharma; Ugir Hossain Sk; Melissa A Gimbor; Jeremy A Hengst; Xujun Wang; Jong Yun; Shantu Amin
Journal:  Eur J Med Chem       Date:  2010-06-12       Impact factor: 6.514

4.  Human sphingosine kinase: purification, molecular cloning and characterization of the native and recombinant enzymes.

Authors:  S M Pitson; R J D'andrea; L Vandeleur; P A Moretti; P Xia; J R Gamble; M A Vadas; B W Wattenberg
Journal:  Biochem J       Date:  2000-09-01       Impact factor: 3.857

5.  Sphingosine 1-phosphate is a missing link between chronic inflammation and colon cancer.

Authors:  Nigel J Pyne; Susan Pyne
Journal:  Cancer Cell       Date:  2013-01-14       Impact factor: 31.743

6.  Molecular cloning and functional characterization of murine sphingosine kinase.

Authors:  T Kohama; A Olivera; L Edsall; M M Nagiec; R Dickson; S Spiegel
Journal:  J Biol Chem       Date:  1998-09-11       Impact factor: 5.157

7.  Features and development of Coot.

Authors:  P Emsley; B Lohkamp; W G Scott; K Cowtan
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2010-03-24

8.  Pharmacology and antitumor activity of ABC294640, a selective inhibitor of sphingosine kinase-2.

Authors:  Kevin J French; Yan Zhuang; Lynn W Maines; Peng Gao; Wenxue Wang; Vladimir Beljanski; John J Upson; Cecelia L Green; Staci N Keller; Charles D Smith
Journal:  J Pharmacol Exp Ther       Date:  2010-01-08       Impact factor: 4.030

9.  Protein kinase D-mediated phosphorylation and nuclear export of sphingosine kinase 2.

Authors:  Guo Ding; Hirofumi Sonoda; Huan Yu; Taketoshi Kajimoto; Sravan K Goparaju; Saleem Jahangeer; Taro Okada; Shun-ichi Nakamura
Journal:  J Biol Chem       Date:  2007-07-16       Impact factor: 5.157

10.  Phaser crystallographic software.

Authors:  Airlie J McCoy; Ralf W Grosse-Kunstleve; Paul D Adams; Martyn D Winn; Laurent C Storoni; Randy J Read
Journal:  J Appl Crystallogr       Date:  2007-07-13       Impact factor: 3.304
View more
  31 in total

1.  Transforming Sphingosine Kinase 1 Inhibitors into Dual and Sphingosine Kinase 2 Selective Inhibitors: Design, Synthesis, and in Vivo Activity.

Authors:  Elizabeth S Childress; Yugesh Kharel; Anne M Brown; David R Bevan; Kevin R Lynch; Webster L Santos
Journal:  J Med Chem       Date:  2017-04-25       Impact factor: 7.446

Review 2.  Novel Sphingolipid-Based Cancer Therapeutics in the Personalized Medicine Era.

Authors:  Jeremy Shaw; Pedro Costa-Pinheiro; Logan Patterson; Kelly Drews; Sarah Spiegel; Mark Kester
Journal:  Adv Cancer Res       Date:  2018-06-19       Impact factor: 6.242

Review 3.  Sphingolipid metabolism in cancer signalling and therapy.

Authors:  Besim Ogretmen
Journal:  Nat Rev Cancer       Date:  2017-11-17       Impact factor: 60.716

4.  An integrative study to identify novel scaffolds for sphingosine kinase 1 inhibitors.

Authors:  Marcela Vettorazzi; Emilio Angelina; Santiago Lima; Tomas Gonec; Jan Otevrel; Pavlina Marvanova; Tereza Padrtova; Petr Mokry; Pavel Bobal; Lina M Acosta; Alirio Palma; Justo Cobo; Janette Bobalova; Jozef Csollei; Ivan Malik; Sergio Alvarez; Sarah Spiegel; Josef Jampilek; Ricardo D Enriz
Journal:  Eur J Med Chem       Date:  2017-08-10       Impact factor: 6.514

5.  In Silico Characterization of Structural Distinctions between Isoforms of Human and Mouse Sphingosine Kinases for Accelerating Drug Discovery.

Authors:  Brittney L Worrell; Anne M Brown; Webster L Santos; David R Bevan
Journal:  J Chem Inf Model       Date:  2019-03-19       Impact factor: 4.956

6.  Structure-Activity Relationship Studies and Molecular Modeling of Naphthalene-Based Sphingosine Kinase 2 Inhibitors.

Authors:  Molly D Congdon; Yugesh Kharel; Anne M Brown; Stephanie N Lewis; David R Bevan; Kevin R Lynch; Webster L Santos
Journal:  ACS Med Chem Lett       Date:  2016-02-02       Impact factor: 4.345

7.  Structure-activity relationship studies of the lipophilic tail region of sphingosine kinase 2 inhibitors.

Authors:  Molly D Congdon; Elizabeth S Childress; Neeraj N Patwardhan; James Gumkowski; Emily A Morris; Yugesh Kharel; Kevin R Lynch; Webster L Santos
Journal:  Bioorg Med Chem Lett       Date:  2015-03-23       Impact factor: 2.823

Review 8.  Sphingosine kinase inhibitors: a review of patent literature (2006-2015).

Authors:  Kevin R Lynch; S Brandon Thorpe; Webster L Santos
Journal:  Expert Opin Ther Pat       Date:  2016-08-30       Impact factor: 6.674

9.  Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis.

Authors:  Marcela Vettorazzi; Cintia Menéndez; Lucas Gutiérrez; Sebastián Andujar; Gustavo Appignanesi; Ricardo D Enriz
Journal:  J Comput Aided Mol Des       Date:  2018-07-03       Impact factor: 3.686

Review 10.  Therapeutic potential of targeting sphingosine kinases and sphingosine 1-phosphate in hematological malignancies.

Authors:  C Evangelisti; C Evangelisti; F Buontempo; A Lonetti; E Orsini; F Chiarini; J T Barata; S Pyne; N J Pyne; A M Martelli
Journal:  Leukemia       Date:  2016-07-27       Impact factor: 11.528
View more

北京卡尤迪生物科技股份有限公司 © 2022-2023.