Albert J. Kooistra
Associate Professor
Pharmaceutical Informatics
Universitetsparken 2
2100 København Ø
Identification of Ligand Binding Hot Spots of the Histamine H1 Receptor following Structure-Based Fragment Optimization
Kuhne, S., Kooistra, Albert J., Bosma, R., Bortolato, A., Wijtmans, M., Vischer, H. F., Mason, J. S., De Graaf, C., De Esch, I. J. P. & Leurs, R., 13 Oct 2016, In: Journal of Medicinal Chemistry. 59, 19, p. 9047-9061 15 p.Research output: Contribution to journal › Journal article › Research › peer-review
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
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
KLIFS: A knowledge-based structural database to navigate kinase-ligand interaction space
Van Linden, O. P. J., Kooistra, Albert J., Leurs, R., De Esch, I. J. P. & De Graaf, C., 23 Jan 2014, In: Journal of Medicinal Chemistry. 57, 2, p. 249-277 29 p.Research output: Contribution to journal › Review › Research › peer-review
KLIFS: A structural kinase-ligand interaction database
Kooistra, Albert J., Kanev, G. K., Van Linden, O. P. J., Leurs, R., De Esch, I. J. P. & De Graaf, C., 1 Jan 2016, In: Nucleic Acids Research. 44, D1, p. D365-D371Research output: Contribution to journal › Journal article › Research › peer-review
- Published
KiSSim: Predicting Off-Targets from Structural Similarities in the Kinome
Sydow, D., Aßmann, E., Kooistra, Albert J., Rippmann, F. & Volkamer, A., 2022, In: Journal of Chemical Information and Modeling. 62, 10, p. 2600–2616Research output: Contribution to journal › Journal article › Research › peer-review
Kinase-Centric Computational Drug Development
Kooistra, Albert J. & Volkamer, A., 1 Jan 2017, Annual Reports in Medicinal Chemistry. Academic Press, p. 263-299 37 p. (Annual Reports in Medicinal Chemistry, Vol. 50).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
Mapping histamine H4 receptor-ligand binding modes
Schultes, S., Nijmeijer, S., Engelhardt, H., Kooistra, Albert J., Vischer, H. F., De Esch, I. J. P., Haaksma, E. E. J., Leurs, R. & De Graaf, C., 1 Jan 2013, In: MedChemComm. 4, 1, p. 193-204 12 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
Molecular interaction fingerprint approaches for GPCR drug discovery
Vass, M., Kooistra, Albert J., Ritschel, T., Leurs, R., de Esch, I. J. & de Graaf, C., 1 Oct 2016, In: Current Opinion in Pharmacology. 30, p. 59-68 10 p.Research output: Contribution to journal › Review › 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
- Published
Pharmacological Characterization of the Zebrafish (Danio Rerio) Histamine H1 Receptor Reveals the Involvement of the Second Extracellular Loop in the Binding of Histamine
McNaught-Flores, D. A., Kooistra, Albert J., Chen, Y. C., Arias-Montano, J. A., Panula, P. & Leurs, R., 2024, In: Molecular Pharmacology. 105, 2, p. 84-96Research output: Contribution to journal › Journal article › 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
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
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
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
Structural insights into serotonin receptor ligands polypharmacology
Podlewska, S., Kafel, R., Lacivita, E., Satała, G., Kooistra, Albert J., Vass, M., de Graaf, C., Leopoldo, M., Bojarski, A. J. & Mordalski, S., 10 May 2018, In: European Journal of Medicinal Chemistry. 151, p. 797-814 18 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Structure of the class D GPCR Ste2 dimer coupled to two G proteins
Velazhahan, V., Ma, N., Pándy-Szekeres, Gáspár, Kooistra, Albert J., Lee, Y., Gloriam, David E., Vaidehi, N. & Tate, C. G., 2021, In: Nature. 589, p. 148-153 +app 24 ppResearch 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
Structure-based prediction of g-protein-coupled receptor ligand function: A β-adrenoceptor case study
Kooistra, Albert J., Leurs, R., De Esch, I. J. P. & De Graaf, C., 26 May 2015, In: Journal of Chemical Information and Modeling. 55, 5, p. 1045-1061 17 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
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
- Published
The G protein database, GproteinDb
Pándy-Szekeres, Gáspár, Esguerra, M., Hauser, Alexander Sebastian, Caroli, J., Munk, C., Pilger, S., Keseru, G. M., Kooistra, Albert J. & Gloriam, David E., 2022, In: Nucleic Acids Research. 50, D1, p. D518-D525Research 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
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
ID: 196033213
Most downloads
-
113
downloads
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