Albert J. Kooistra
Associate Professor
Pharmaceutical Informatics
Universitetsparken 2
2100 København Ø
Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domain
Akdemir, A., Edink, E., Thompson, A. J., Lummis, S. C. R., Kooistra, Albert J., De Graaf, C. & De Esch, I. J. P., 1 Oct 2012, In: Bioorganic and Medicinal Chemistry. 20, 19, p. 5992-6002 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Structure-Based Virtual Screening for Ligands of G Protein-Coupled Receptors: What Can Molecular Docking Do for You?
Ballante, F., Kooistra, Albert J., Kampen, S., de Graaf, C. & Carlsson, J., 2021, In: Pharmacological Reviews. 73, 4, p. 527-565Research output: Contribution to journal › Review › Research › peer-review
Route to Prolonged Residence Time at the Histamine H1 Receptor: Growing from Desloratadine to Rupatadine
Bosma, R., Wang, Z., Kooistra, Albert J., Bushby, N., Kuhne, S., van den Bor, J., Waring, M. J., de Graaf, C., de Esch, I. J., Vischer, H. F., Sheppard, R. J., Wijtmans, M. & Leurs, R., 25 Jul 2019, In: Journal of Medicinal Chemistry. 62, 14, p. 6630-6644 15 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
A community Biased Signaling Atlas
Caroli, J., Mamyrbekov, A., Harpsøe, Kasper, Gardizi, S., Dörries, L., Ghosh, E., Hauser, Alexander Sebastian, Kooistra, Albert J. & Gloriam, David E., 2023, In: Nature Chemical Biology. 19, p. 531–535Research output: Contribution to journal › Comment/debate › Research › peer-review
Crystal structure-based virtual screening for fragment-like ligands of the human histamine H 1 receptor
De Graaf, C., Kooistra, Albert J., Vischer, H. F., Katritch, V., Kuijer, M., Shiroishi, M., Iwata, S., Shimamura, T., Stevens, R. C., De Esch, I. J. P. & Leurs, R., 8 Dec 2011, In: Journal of Medicinal Chemistry. 54, 23, p. 8195-8206 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
Small and colorful stones make beautiful mosaics: Fragment-based chemogenomics
De Graaf, C., Vischer, H. F., De Kloe, G. E., Kooistra, Albert J., Nijmeijer, S., Kuijer, M., Verheij, M. H. P., England, P. J., Van Muijlwijk-Koezen, J. E., Leurs, R. & De Esch, I. J. P., 1 Apr 2013, In: Drug Discovery Today. 18, 7-8, p. 323-330 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
The viral G protein-coupled receptor ORF74 hijacks β-arrestins for endocytic trafficking in response to human chemokines
De Munnik, S. M., Kooistra, Albert J., Van Offenbeek, J., Nijmeijer, S., De Graaf, C., Smit, M. J., Leurs, R. & Vischer, H. F., 20 Apr 2015, In: PLOS ONE. 10, 4, e0124486.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
GPCR activation mechanisms across classes and macro/microscales
Hauser, Alexander Sebastian, Kooistra, Albert J., Munk, C., Heydenreich, F. M., Veprintsev, D. B., Bouvier, M., Babu, M. M. & Gloriam, David E., 2021, In: Nature Structural and Molecular Biology. 28, 11, p. 879-888Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Utilizing drug-target-event relationships to unveil safety patterns in pharmacovigilance
Hauser, Alexander Sebastian, Kooistra, Albert J., Sverrisdóttir, E. & Sessa, Maurizio, 2020, In: Expert Opinion on Drug Safety. 19, p. 961-968Research output: Contribution to journal › Journal article › Research › peer-review
Synthesis and Characterization of a Bidirectional Photoswitchable Antagonist Toolbox for Real-Time GPCR Photopharmacology
Hauwert, N. J., Mocking, T. A. M., Da Costa Pereira, D., Kooistra, Albert J., Wijnen, L. M., Vreeker, G. C. M., Verweij, E. W. E., De Boer, A. H., Smit, M. J., De Graaf, C., Vischer, H. F., De Esch, I. J. P., Wijtmans, M. & Leurs, R., 28 Mar 2018, In: Journal of the American Chemical Society. 140, 12, p. 4232-4243 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
Structure-based virtual screening for fragment-like ligands of the G protein-coupled histamine H4 receptor
Istyastono, E. P., Istyastono, E. P., Kooistra, Albert J., Vischer, H. F., Kuijer, M., Roumen, L., Nijmeijer, S., Smits, R. A., De Esch, I. J. P., Leurs, R. & De Graaf, C., 1 Jun 2015, In: MedChemComm. 6, 6, p. 1003-1017 15 p.Research output: Contribution to journal › Journal article › Research › peer-review
Molecular determinants of ligand binding modes in the histamine H 4 receptor: Linking ligand-based three-dimensional quantitative structure-activity relationship (3D-QSAR) models to in silico guided receptor mutagenesis studies
Istyastono, E. P., Nijmeijer, S., Lim, H. D., Van De Stolpe, A., Roumen, L., Kooistra, Albert J., Vischer, H. F., De Esch, I. J. P., Leurs, R. & De Graaf, C., 8 Dec 2011, In: Journal of Medicinal Chemistry. 54, 23, p. 8136-8147 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design
Jansen, C., Kooistra, Albert J., Kanev, G. K., Leurs, R., De Esch, I. J. P. & De Graaf, C., 11 Aug 2016, In: Journal of Medicinal Chemistry. 59, 15, p. 7029-7065 37 p.Research output: Contribution to journal › Review › Research › peer-review
Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure
Jansen, C., Wang, H., Kooistra, Albert J., De Graaf, C., Orrling, K. M., Tenor, H., Seebeck, T., Bailey, D., De Esch, I. J. P., Ke, H. & Leurs, R., 14 Mar 2013, In: Journal of Medicinal Chemistry. 56, 5, p. 2087-2096 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
Structural Chemogenomics Databases to Navigate Protein-Ligand Interaction Space
Kanev, G. K., Kooistra, Albert J., de Esch, I. J. P. & de Graaf, C., 3 Jun 2017, The Future of Drug Discovery. Elsevier Science Inc., Vol. 1-8. p. 444-471 28 p.Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
- Published
KLIFS: an overhaul after the first 5 years of supporting kinase research
Kanev, G. K., de Graaf, C., Westerman, B. A., de Esch, I. J. P. & Kooistra, Albert J., 2021, In: Nucleic Acids Research. 49, D1, p. D562-D569Research output: Contribution to journal › Journal article › Research › peer-review
The Landscape of Atypical and Eukaryotic Protein Kinases
Kanev, G. K., de Graaf, C., de Esch, I. J. P., Leurs, R., Würdinger, T., Westerman, B. A. & Kooistra, Albert J., Nov 2019, In: Trends in Pharmacological Sciences. 40, 11, p. 818-832 15 p.Research output: Contribution to journal › Review › Research › peer-review
- Published
Predicting the target landscape of kinase inhibitors using 3D convolutional neural networks
Kanev, G. K., Zhang, Y., Kooistra, Albert J., Bender, A., Leurs, R., Bailey, D., Würdinger, T., Graaf, C. D., de Esch, I. J. P. & Westerman, B. A., 2023, In: PLOS Computational Biology. 19, 9, 19 p., e1011301.Research output: Contribution to journal › Journal article › Research › peer-review
A structural chemogenomics analysis of aminergic GPCRs: Lessons for histamine receptor ligand design
Kooistra, Albert J., Kuhne, S., De Esch, I. J. P., Leurs, R. & De Graaf, C., 1 Sep 2013, In: British Journal of Pharmacology. 170, 1, p. 101-126 26 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
GPCRdb in 2021: integrating GPCR sequence, structure and function
Kooistra, Albert J., Mordalski, S., Pándy-Szekeres, Gáspár, Esguerra, M., Mamyrbekov, A., Munk, C., Keserű, G. M. & Gloriam, David E., 2021, In: Nucleic Acids Research. 49, D1, p. D335-D343Research output: Contribution to journal › Journal article › Research › peer-review
From three-dimensional GPCR structure to rational ligand discovery
Kooistra, Albert J., Leurs, R., De Esch, I. J. P. & Graaf, C. D., 1 Jan 2014, G Protein-Coupled Receptors - Modeling and Simulation. Springer New York LLC, p. 129-157 29 p. (Advances in Experimental Medicine and Biology, Vol. 796).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
From heptahelical bundle to hits from the haystack: Structure-based virtual screening for GPCR ligands
Kooistra, Albert J., Roumen, L., Leurs, R., De Esch, I. J. P. & De Graaf, C., 11 Feb 2013, G Protein Coupled ReceptorsModeling, Activation, Interactions and Virtual Screening. p. 279-336 58 p. (Methods in Enzymology, Vol. 522).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
The Receptor Concept in 3D: From Hypothesis and Metaphor to GPCR–Ligand Structures
Kooistra, Albert J., de Graaf, C. & Timmerman, H., 1 Jan 2014, In: Neurochemical Research. 39, 10, p. 1850-1861 12 p.Research output: Contribution to journal › Review › Research › peer-review
- Published
An online GPCR structure analysis platform
Kooistra, Albert J., Munk, C., Hauser, Alexander Sebastian & Gloriam, David E., 2021, In: Nature Structural and Molecular Biology. 28, 11, p. 875-878Research output: Contribution to journal › Journal article › Research › peer-review
Function-specific virtual screening for GPCR ligands using a combined scoring method
Kooistra, Albert J., Vischer, H. F., McNaught-Flores, D., Leurs, R., De Esch, I. J. P. & De Graaf, C., 24 Jun 2016, In: Scientific Reports. 6, 28288.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 196033213
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GPCRdb in 2021: integrating GPCR sequence, structure and function
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
67
downloads
The Landscape of Atypical and Eukaryotic Protein Kinases
Research output: Contribution to journal › Review › Research › peer-review
-
63
downloads
KLIFS: an overhaul after the first 5 years of supporting kinase research
Research output: Contribution to journal › Journal article › Research › peer-review
Published