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Items: 32

1.

Target Engagement of a Phosphodiesterase 2A Inhibitor Affecting Long-Term Memory in the Rat.

Gu G, Scott T, Yan Y, Warren N, Zhang A, Tabatabaei A, Xu H, Aertgeerts K, Gomez L, Morse A, Li YW, Breitenbucher JG, Massari E, Vivian J, Danks A.

J Pharmacol Exp Ther. 2019 Sep;370(3):399-407. doi: 10.1124/jpet.118.255851. Epub 2019 Jun 28.

PMID:
31253692
2.

Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes.

Gomez L, Xu R, Sinko W, Selfridge B, Vernier W, Ly K, Truong R, Metz M, Marrone T, Sebring K, Yan Y, Appleton B, Aertgeerts K, Massari ME, Breitenbucher JG.

J Med Chem. 2018 Sep 13;61(17):7754-7766. doi: 10.1021/acs.jmedchem.8b00713. Epub 2018 Aug 20.

PMID:
30070482
3.

Dataset on Galanin Receptor 3 mutants that improve recombinant receptor expression and stability in an agonist and antagonist bound form.

Ho TT, Nguyen JT, Liu J, Stanczak P, Thompson AA, Yan YG, Chen J, Allerston CK, Dillard CL, Xu H, Shoger NJ, Cameron JS, Massari ME, Aertgeerts K.

Data Brief. 2017 May 4;12:603-607. doi: 10.1016/j.dib.2017.04.057. eCollection 2017 Jun.

4.

Discovery of Selective Phosphodiesterase 1 Inhibitors with Memory Enhancing Properties.

Dyck B, Branstetter B, Gharbaoui T, Hudson AR, Breitenbucher JG, Gomez L, Botrous I, Marrone T, Barido R, Allerston CK, Cedervall EP, Xu R, Sridhar V, Barker R, Aertgeerts K, Schmelzer K, Neul D, Lee D, Massari ME, Andersen CB, Sebring K, Zhou X, Petroski R, Limberis J, Augustin M, Chun LE, Edwards TE, Peters M, Tabatabaei A.

J Med Chem. 2017 Apr 27;60(8):3472-3483. doi: 10.1021/acs.jmedchem.7b00302. Epub 2017 Apr 13.

PMID:
28406621
5.

Method for rapid optimization of recombinant GPCR protein expression and stability using virus-like particles.

Ho TT, Nguyen JT, Liu J, Stanczak P, Thompson AA, Yan YG, Chen J, Allerston CK, Dillard CL, Xu H, Shoger NJ, Cameron JS, Massari ME, Aertgeerts K.

Protein Expr Purif. 2017 May;133:41-49. doi: 10.1016/j.pep.2017.03.002. Epub 2017 Mar 3.

PMID:
28263854
6.

Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.

Gomez L, Massari ME, Vickers T, Freestone G, Vernier W, Ly K, Xu R, McCarrick M, Marrone T, Metz M, Yan YG, Yoder ZW, Lemus R, Broadbent NJ, Barido R, Warren N, Schmelzer K, Neul D, Lee D, Andersen CB, Sebring K, Aertgeerts K, Zhou X, Tabatabaei A, Peters M, Breitenbucher JG.

J Med Chem. 2017 Mar 9;60(5):2037-2051. doi: 10.1021/acs.jmedchem.6b01793. Epub 2017 Feb 21.

PMID:
28165743
7.

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.

Adams PD, Aertgeerts K, Bauer C, Bell JA, Berman HM, Bhat TN, Blaney JM, Bolton E, Bricogne G, Brown D, Burley SK, Case DA, Clark KL, Darden T, Emsley P, Feher VA, Feng Z, Groom CR, Harris SF, Hendle J, Holder T, Joachimiak A, Kleywegt GJ, Krojer T, Marcotrigiano J, Mark AE, Markley JL, Miller M, Minor W, Montelione GT, Murshudov G, Nakagawa A, Nakamura H, Nicholls A, Nicklaus M, Nolte RT, Padyana AK, Peishoff CE, Pieniazek S, Read RJ, Shao C, Sheriff S, Smart O, Soisson S, Spurlino J, Stouch T, Svobodova R, Tempel W, Terwilliger TC, Tronrud D, Velankar S, Ward SC, Warren GL, Westbrook JD, Williams P, Yang H, Young J.

Structure. 2016 Apr 5;24(4):502-508. doi: 10.1016/j.str.2016.02.017.

8.

High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875.

Srivastava A, Yano J, Hirozane Y, Kefala G, Gruswitz F, Snell G, Lane W, Ivetac A, Aertgeerts K, Nguyen J, Jennings A, Okada K.

Nature. 2014 Sep 4;513(7516):124-7. doi: 10.1038/nature13494. Epub 2014 Jul 20.

PMID:
25043059
9.

Discovery of a selective kinase inhibitor (TAK-632) targeting pan-RAF inhibition: design, synthesis, and biological evaluation of C-7-substituted 1,3-benzothiazole derivatives.

Okaniwa M, Hirose M, Arita T, Yabuki M, Nakamura A, Takagi T, Kawamoto T, Uchiyama N, Sumita A, Tsutsumi S, Tottori T, Inui Y, Sang BC, Yano J, Aertgeerts K, Yoshida S, Ishikawa T.

J Med Chem. 2013 Aug 22;56(16):6478-94. doi: 10.1021/jm400778d. Epub 2013 Aug 1.

PMID:
23906342
10.

Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives.

Hirose M, Okaniwa M, Miyazaki T, Imada T, Ohashi T, Tanaka Y, Arita T, Yabuki M, Kawamoto T, Tsutsumi S, Sumita A, Takagi T, Sang BC, Yano J, Aertgeerts K, Yoshida S, Ishikawa T.

Bioorg Med Chem. 2012 Sep 15;20(18):5600-15. doi: 10.1016/j.bmc.2012.07.032. Epub 2012 Jul 23.

PMID:
22883026
11.

Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds.

Okaniwa M, Hirose M, Imada T, Ohashi T, Hayashi Y, Miyazaki T, Arita T, Yabuki M, Kakoi K, Kato J, Takagi T, Kawamoto T, Yao S, Sumita A, Tsutsumi S, Tottori T, Oki H, Sang BC, Yano J, Aertgeerts K, Yoshida S, Ishikawa T.

J Med Chem. 2012 Apr 12;55(7):3452-78. doi: 10.1021/jm300126x. Epub 2012 Mar 14.

PMID:
22376051
12.

Design and synthesis of novel human epidermal growth factor receptor 2 (HER2)/epidermal growth factor receptor (EGFR) dual inhibitors bearing a pyrrolo[3,2-d]pyrimidine scaffold.

Ishikawa T, Seto M, Banno H, Kawakita Y, Oorui M, Taniguchi T, Ohta Y, Tamura T, Nakayama A, Miki H, Kamiguchi H, Tanaka T, Habuka N, Sogabe S, Yano J, Aertgeerts K, Kamiyama K.

J Med Chem. 2011 Dec 8;54(23):8030-50. doi: 10.1021/jm2008634. Epub 2011 Nov 4.

PMID:
22003817
13.

Identification of 3-aminomethyl-1,2-dihydro-4-phenyl-1-isoquinolones: a new class of potent, selective, and orally active non-peptide dipeptidyl peptidase IV inhibitors that form a unique interaction with Lys554.

Banno Y, Miyamoto Y, Sasaki M, Oi S, Asakawa T, Kataoka O, Takeuchi K, Suzuki N, Ikedo K, Kosaka T, Tsubotani S, Tani A, Funami M, Tawada M, Yamamoto Y, Aertgeerts K, Yano J, Maezaki H.

Bioorg Med Chem. 2011 Aug 15;19(16):4953-70. doi: 10.1016/j.bmc.2011.06.059. Epub 2011 Jun 28.

PMID:
21764322
14.

Discovery of potent, selective, and orally bioavailable quinoline-based dipeptidyl peptidase IV inhibitors targeting Lys554.

Maezaki H, Banno Y, Miyamoto Y, Moritoh Y, Asakawa T, Kataoka O, Takeuchi K, Suzuki N, Ikedo K, Kosaka T, Sasaki M, Tsubotani S, Tani A, Funami M, Yamamoto Y, Tawada M, Aertgeerts K, Yano J, Oi S.

Bioorg Med Chem. 2011 Aug 1;19(15):4482-98. doi: 10.1016/j.bmc.2011.06.032. Epub 2011 Jul 7. Erratum in: Bioorg Med Chem. 2011 Sep 15;19(18):5742. Moritou, Yuusuke [corrected to Moritoh, Yusuke].

PMID:
21741847
15.

Structural analysis of the mechanism of inhibition and allosteric activation of the kinase domain of HER2 protein.

Aertgeerts K, Skene R, Yano J, Sang BC, Zou H, Snell G, Jennings A, Iwamoto K, Habuka N, Hirokawa A, Ishikawa T, Tanaka T, Miki H, Ohta Y, Sogabe S.

J Biol Chem. 2011 May 27;286(21):18756-65. doi: 10.1074/jbc.M110.206193. Epub 2011 Mar 30.

16.

Design and optimization of potent and orally bioavailable tetrahydronaphthalene Raf inhibitors.

Gould AE, Adams R, Adhikari S, Aertgeerts K, Afroze R, Blackburn C, Calderwood EF, Chau R, Chouitar J, Duffey MO, England DB, Farrer C, Forsyth N, Garcia K, Gaulin J, Greenspan PD, Guo R, Harrison SJ, Huang SC, Iartchouk N, Janowick D, Kim MS, Kulkarni B, Langston SP, Liu JX, Ma LT, Menon S, Mizutani H, Paske E, Renou CC, Rezaei M, Rowland RS, Sintchak MD, Smith MD, Stroud SG, Tregay M, Tian Y, Veiby OP, Vos TJ, Vyskocil S, Williams J, Xu T, Yang JJ, Yano J, Zeng H, Zhang DM, Zhang Q, Galvin KM.

J Med Chem. 2011 Mar 24;54(6):1836-46. doi: 10.1021/jm101479y. Epub 2011 Feb 22.

PMID:
21341678
17.

Discovery of a 3-pyridylacetic acid derivative (TAK-100) as a potent, selective and orally active dipeptidyl peptidase IV (DPP-4) inhibitor.

Miyamoto Y, Banno Y, Yamashita T, Fujimoto T, Oi S, Moritoh Y, Asakawa T, Kataoka O, Yashiro H, Takeuchi K, Suzuki N, Ikedo K, Kosaka T, Tsubotani S, Tani A, Sasaki M, Funami M, Amano M, Yamamoto Y, Aertgeerts K, Yano J, Maezaki H.

J Med Chem. 2011 Feb 10;54(3):831-50. doi: 10.1021/jm101236h. Epub 2011 Jan 10.

PMID:
21218817
18.

Design and synthesis of pyrimidinone and pyrimidinedione inhibitors of dipeptidyl peptidase IV.

Zhang Z, Wallace MB, Feng J, Stafford JA, Skene RJ, Shi L, Lee B, Aertgeerts K, Jennings A, Xu R, Kassel DB, Kaldor SW, Navre M, Webb DR, Gwaltney SL.

J Med Chem. 2011 Jan 27;54(2):510-24. doi: 10.1021/jm101016w. Epub 2010 Dec 27.

PMID:
21186796
19.

Design and synthesis of 3-pyridylacetamide derivatives as dipeptidyl peptidase IV (DPP-4) inhibitors targeting a bidentate interaction with Arg125.

Miyamoto Y, Banno Y, Yamashita T, Fujimoto T, Oi S, Moritoh Y, Asakawa T, Kataoka O, Takeuchi K, Suzuki N, Ikedo K, Kosaka T, Tsubotani S, Tani A, Funami M, Amano M, Yamamoto Y, Aertgeerts K, Yano J, Maezaki H.

Bioorg Med Chem. 2011 Jan 1;19(1):172-85. doi: 10.1016/j.bmc.2010.11.038. Epub 2010 Nov 25.

PMID:
21163664
20.

Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor.

Fujimoto T, Imaeda Y, Konishi N, Hiroe K, Kawamura M, Textor GP, Aertgeerts K, Kubo K.

J Med Chem. 2010 May 13;53(9):3517-31. doi: 10.1021/jm901699j.

PMID:
20355714
21.

Structural and kinetic analysis of the substrate specificity of human fibroblast activation protein alpha.

Aertgeerts K, Levin I, Shi L, Snell GP, Jennings A, Prasad GS, Zhang Y, Kraus ML, Salakian S, Sridhar V, Wijnands R, Tennant MG.

J Biol Chem. 2005 May 20;280(20):19441-4. Epub 2005 Apr 4.

22.

Conformational flexibility in crystal structures of human 11beta-hydroxysteroid dehydrogenase type I provide insights into glucocorticoid interconversion and enzyme regulation.

Hosfield DJ, Wu Y, Skene RJ, Hilgers M, Jennings A, Snell GP, Aertgeerts K.

J Biol Chem. 2005 Feb 11;280(6):4639-48. Epub 2004 Oct 28.

23.

The low density lipoprotein receptor-related protein is a motogenic receptor for plasminogen activator inhibitor-1.

Degryse B, Neels JG, Czekay RP, Aertgeerts K, Kamikubo Y, Loskutoff DJ.

J Biol Chem. 2004 May 21;279(21):22595-604. Epub 2004 Mar 4.

24.

Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.

Aertgeerts K, Ye S, Tennant MG, Kraus ML, Rogers J, Sang BC, Skene RJ, Webb DR, Prasad GS.

Protein Sci. 2004 Feb;13(2):412-21. Epub 2004 Jan 10.

25.

N-linked glycosylation of dipeptidyl peptidase IV (CD26): effects on enzyme activity, homodimer formation, and adenosine deaminase binding.

Aertgeerts K, Ye S, Shi L, Prasad SG, Witmer D, Chi E, Sang BC, Wijnands RA, Webb DR, Swanson RV.

Protein Sci. 2004 Jan;13(1):145-54.

26.

Plasminogen activator inhibitor-1 detaches cells from extracellular matrices by inactivating integrins.

Czekay RP, Aertgeerts K, Curriden SA, Loskutoff DJ.

J Cell Biol. 2003 Mar 3;160(5):781-91.

27.

Plasminogen activator inhibitor 1 (PAI-1) in its active conformation: crystallization and preliminary X-ray diffraction data.

Willems PK, Rabijns A, Aertgeerts K, Vleugels N, Knockaert I, De Bondt HL, De Ranter CJ, Declerck PJ.

Acta Crystallogr D Biol Crystallogr. 1999 Feb;55(Pt 2):574-6.

PMID:
10089384
28.

Identification of positively charged residues contributing to the stability of plasminogen activator inhibitor 1.

Gils A, Lu J, Aertgeerts K, Knockaert I, Declerck PJ.

FEBS Lett. 1997 Sep 29;415(2):192-5.

29.

Rational design of complex formation between plasminogen activator inhibitor-1 and its target proteinases.

Aertgeerts K, De Ranter CJ, Booth NA, Declerck PJ.

J Struct Biol. 1997 Apr;118(3):236-42.

PMID:
9169233
30.

Mechanisms contributing to the conformational and functional flexibility of plasminogen activator inhibitor-1.

Aertgeerts K, De Bondt HL, De Ranter CJ, Declerck PJ.

Nat Struct Biol. 1995 Oct;2(10):891-7.

PMID:
7552714
31.

Crystallization and X-ray diffraction data of the cleaved form of plasminogen activator inhibitor-1.

Aertgeerts K, De Bondt HL, De Ranter C, Declerck PJ.

Proteins. 1995 Sep;23(1):118-21.

PMID:
8539244
32.

A model of the reactive form of plasminogen activator inhibitor-1.

Aertgeerts K, De Bondt HL, De Ranter C, Declerck PJ.

J Struct Biol. 1994 Nov-Dec;113(3):239-45.

PMID:
7734247

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