Insights into the structure of class B GPCRs

Por Hollenstein, Kaspar, de Graaf, Chris, Bortolato, Andrea, Wang, Ming-Wei, Marshall, Fiona H., Stevens, Raymond C.
Publicado em 2013

Structural Analysis of Chemokine Receptor–Ligand Interactions

Por Arimont, Marta, Sun, Shan-Liang, Leurs, Rob, Smit, Martine, de Esch, Iwan J. P., de Graaf, Chris
Publicado no J Med Chem (2017)

Function-specific virtual screening for GPCR ligands using a combined scoring method

Por Kooistra, Albert J., Vischer, Henry F., McNaught-Flores, Daniel, Leurs, Rob, de Esch, Iwan J. P., de Graaf, Chris
Publicado no Sci Rep (2016)

Diazepam-bound GABA(A) receptor models identify new benzodiazepine binding-site ligands

Por Richter, Lars, de Graaf, Chris, Sieghart, Werner, Varagic, Zdravko, Mörzinger, Martina, de Esch, Iwan J P, Ecker, Gerhard F, Ernst, Margot
Publicado em 2012

KLIFS: a structural kinase-ligand interaction database

Por Kooistra, Albert J., Kanev, Georgi K., van Linden, Oscar P.J., Leurs, Rob, de Esch, Iwan J.P., de Graaf, Chris
Publicado no Nucleic Acids Res (2016)

Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domain

Por Akdemir, Atilla, Edink, Ewald, Thompson, Andrew J., Lummis, Sarah C.R., Kooistra, Albert J., de Graaf, Chris, de Esch, Iwan J.P.
Publicado em 2012

Free energies of binding of R- and S-propranolol to wild-type and F483A mutant cytochrome P450 2D6 from molecular dynamics simulations

Por de Graaf, Chris, Oostenbrink, Chris, Keizers, Peter H. J., van Vugt-Lussenburg, Barbara M. A., Commandeur, Jan N. M., Vermeulen, Nico P. E.
Publicado em 2007

The Viral G Protein-Coupled Receptor ORF74 Hijacks β-Arrestins for Endocytic Trafficking in Response to Human Chemokines

Por de Munnik, Sabrina M., Kooistra, Albert J., van Offenbeek, Jody, Nijmeijer, Saskia, de Graaf, Chris, Smit, Martine J., Leurs, Rob, Vischer, Henry F.
Publicado no PLoS One (2015)

Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure

Por Jansen, Chimed, Wang, Huanchen, Kooistra, Albert J., de Graaf, Chris, Orrling, Kristina, Tenor, Hermann, Seebeck, Thomas, Bailey, David, de Esch, Iwan J.P., Ke, Hengming, Leurs, Rob
Publicado em 2013

Generic GPCR Residue Numbers - Aligning Topology Maps Minding The Gaps

Por Isberg, Vignir, de Graaf, Chris, Bortolato, Andrea, Cherezov, Vadim, Katritch, Vsevolod, Marshall, Fiona H., Mordalski, Stefan, Pin, Jean-Philippe, Stevens, Raymond C., Vriend, Gerrit, Gloriam, David E.
Publicado no Trends Pharmacol Sci (2014)

Binding of 7-methoxy-4-(aminomethyl)-coumarin to wild-type and W128F mutant cytochrome P450 2D6 studied by time-resolved fluorescence spectroscopy

Por Stortelder, Aike, Keizers, Peter H. J., Oostenbrink, Chris, De Graaf, Chris, De Kruijf, Petra, Vermeulen, Nico P. E., Gooijer, Cees, Commandeur, Jan N. M., Van Der Zwan, Gert
Publicado em 2006

In Silico Veritas: The Pitfalls and Challenges of Predicting GPCR-Ligand Interactions

Por Roumen, Luc, Sanders, Marijn P.A., Vroling, Bas, de Esch, Iwan J.P., de Vlieg, Jacob, Leurs, Rob, Klomp, Jan P.G., Nabuurs, Sander B., de Graaf, Chris
Publicado em 2011

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine

Por McGuire, Ross, Verhoeven, Stefan, Vass, Márton, Vriend, Gerrit, de Esch, Iwan J. P., Lusher, Scott J., Leurs, Rob, Ridder, Lars, Kooistra, Albert J., Ritschel, Tina, de Graaf, Chris
Publicado no J Chem Inf Model (2017)

Altered spin state equilibrium in the T309V mutant of cytochrome P450 2D6: a spectroscopic and computational study

Por Bonifacio, Alois, Groenhof, André R., Keizers, Peter H. J., de Graaf, Chris, Commandeur, Jan N. M., Vermeulen, Nico P. E., Ehlers, Andreas W., Lammertsma, Koop, Gooijer, Cees, van der Zwan, Gert
Publicado em 2007

Conformationally constrained opioid ligands: The Dmt-Aba and Dmt-Aia vs. Dmt-Tic scaffold

Por Ballet, Steven, Feytens, Debby, De Wachter, Rien, De Vlaeminck, Magali, Marczak, Ewa D., Salvadori, Severo, de Graaf, Chris, Rognan, Didier, Negri, Lucia, Lattanzi, Roberta, Lazarus, Lawrence H., Tourwé, Dirk, Balboni, Gianfranco
Publicado em 2008

Structural Determinants of Binding the Seven-transmembrane Domain of the Glucagon-like Peptide-1 Receptor (GLP-1R)

Por Yang, Dehua, de Graaf, Chris, Yang, Linlin, Song, Gaojie, Dai, Antao, Cai, Xiaoqing, Feng, Yang, Reedtz-Runge, Steffen, Hanson, Michael A., Yang, Huaiyu, Jiang, Hualiang, Stevens, Raymond C., Wang, Ming-Wei
Publicado no J Biol Chem (2016)

Glucagon-Like Peptide-1 and Its Class B G Protein–Coupled Receptors: A Long March to Therapeutic Successes

Por de Graaf, Chris, Donnelly, Dan, Wootten, Denise, Lau, Jesper, Sexton, Patrick M., Miller, Laurence J., Ahn, Jung-Mo, Liao, Jiayu, Fletcher, Madeleine M., Yang, Dehua, Brown, Alastair J. H., Zhou, Caihong, Deng, Jiejie, Wang, Ming-Wei
Publicado no Pharmacol Rev (2016)

Structure of the class B human glucagon G protein coupled receptor

Por Siu, Fai Yiu, He, Min, de Graaf, Chris, Han, Gye Won, Yang, Dehua, Zhang, Zhiyun, Zhou, Caihong, Xu, Qingping, Wacker, Daniel, Joseph, Jeremiah S., Liu, Wei, Lau, Jesper, Cherezov, Vadim, Katritch, Vsevolod, Wang, Ming-Wei, Stevens, Raymond C.
Publicado em 2013

Fragment library screening reveals remarkable similarities between the G protein-coupled receptor histamine H(4) and the ion channel serotonin 5-HT(3A)

Por Verheij, Mark H.P., de Graaf, Chris, de Kloe, Gerdien E., Nijmeijer, Saskia, Vischer, Henry F., Smits, Rogier A., Zuiderveld, Obbe P., Hulscher, Saskia, Silvestri, Linda, Thompson, Andrew J., van Muijlwijk-Koezen, Jacqueline E., Lummis, Sarah C.R., Leurs, Rob, de Esch, Iwan J.P.
Publicado em 2011

Conformational states of the full-length glucagon receptor

Por Yang, Linlin, Yang, Dehua, de Graaf, Chris, Moeller, Arne, West, Graham M., Dharmarajan, Venkatasubramanian, Wang, Chong, Siu, Fai Y., Song, Gaojie, Reedtz-Runge, Steffen, Pascal, Bruce D., Wu, Beili, Potter, Clinton S., Zhou, Hu, Griffin, Patrick R., Carragher, Bridget, Yang, Huaiyu, Wang, Ming-Wei, Stevens, Raymond C., Jiang, Hualiang
Publicado no Nat Commun (2015)