Albert J. Kooistra
Associate Professor
Pharmaceutical Informatics
Universitetsparken 2
2100 København Ø
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Discovery of Diaryl Ether Substituted Tetrahydrophthalazinones as TbrPDEB1 Inhibitors Following Structure-Based Virtual Screening
de Heuvel, E., Kooistra, Albert J., Edink, E., van Klaveren, S., Stuijt, J., van der Meer, T., Sadek, P., Mabille, D., Caljon, G., Maes, L., Siderius, M., de Esch, I. J. P., Sterk, G. J. & Leurs, R., 21 Jan 2021, In: Frontiers in Chemistry. 8, 10 p., 608030.Research output: Contribution to journal › Journal article › Research › peer-review
Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2)
de Heuvel, E., Singh, A. K., Boronat, P., Kooistra, Albert J., van der Meer, T., Sadek, P., Blaazer, A. R., Shaner, N. C., Bindels, D. S., Caljon, G., Maes, L., Sterk, G. J., Siderius, M., Oberholzer, M., de Esch, I. J. P., Brown, D. G. & Leurs, R., 15 Sep 2019, In: Bioorganic & Medicinal Chemistry. 27, 18, p. 4013-4029 17 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists
Zhang, X., Belousoff, M. J., Zhao, P., Kooistra, A. J., Truong, T. T., Ang, S. Y., Underwood, C. R., Egebjerg, T., Šenel, P., Stewart, G. D., Liang, Y-L., Glukhova, A., Venugopal, H., Christopoulos, A., Furness, S. G. B., Miller, L. J., Reedtz-Runge, S., Langmead, C. J., Gloriam, D. E., Danev, R. & 2 others, , 2020, In: Molecular Cell. 80, 3, p. 485-500Research output: Contribution to journal › Journal article › Research › peer-review
Covalent Inhibition of the Histamine H3 Receptor
Wágner, G., Mocking, T. A. M., Kooistra, Albert J., Slynko, I., Ábrányi-Balogh, P., Keserű, G. M., Wijtmans, M., Vischer, H. F., de Esch, I. J. P. & Leurs, R., 11 Dec 2019, In: Molecules (Print Archive Edition). 24, 19 p., 4541.Research output: Contribution to journal › Journal article › Research › peer-review
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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
Chemical Diversity in the G Protein-Coupled Receptor Superfamily
Vass, M., Kooistra, Albert J., Yang, D., Stevens, R. C., Wang, M. W. & de Graaf, C., 1 May 2018, In: Trends in Pharmacological Sciences. 39, 5, p. 494-512 19 p.Research output: Contribution to journal › Review › 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
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A Structural Framework for GPCR Chemogenomics: What’s In a Residue Number?
Vass, M., Kooistra, Albert J., Verhoeven, S., Gloriam, David E., de Esch, I. J. P. & de Graaf, C., 1 Jan 2018, Methods in Molecular Biology. Humana Press, p. 73-113 41 p. (Methods in Molecular Biology, Vol. 1705).Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
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Aminergic GPCR-Ligand Interactions: A Chemical and Structural Map of Receptor Mutation Data
Vass, M., Podlewska, S., De Esch, I. J. P., Bojarski, A. J., Leurs, R., Kooistra, Albert J. & De Graaf, C., 2019, In: Journal of Medicinal Chemistry. 62, 8, p. 3784-3839 56 p.Research 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
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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
Development of novel fluorescent histamine H1-receptor antagonists to study ligand-binding kinetics in living cells
Stoddart, L. A., Vernall, A. J., Bouzo-Lorenzo, M., Bosma, R., Kooistra, Albert J., De Graaf, C., Vischer, H. F., Leurs, R., Briddon, S. J., Kellam, B. & Hill, S. J., 1 Dec 2018, In: Scientific Reports. 8, 1, 1572.Research output: Contribution to journal › Journal article › Research › peer-review
Virtual fragment screening: Discovery of histamine H3 receptor ligands using ligand-based and protein-based molecular fingerprints
Sirci, F., Istyastono, E. P., Istyastono, E. P., Vischer, H. F., Kooistra, Albert J., Nijmeijer, S., Kuijer, M., Wijtmans, M., Mannhold, R., Leurs, R., De Esch, I. J. P. & De Graaf, C., 21 Dec 2012, In: Journal of Chemical Information and Modeling. 52, 12, p. 3308-3324 17 p.Research output: Contribution to journal › Journal article › 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
Combinatorial consensus scoring for ligand-based virtual fragment screening: A comparative case study for serotonin 5-HT3A, histamine H1, and Histamine H4 receptors
Schultes, S., Kooistra, Albert J., Vischer, H. F., Nijmeijer, S., Haaksma, E. E. J., Leurs, R., De Esch, I. J. P. & De Graaf, C., 26 May 2015, In: Journal of Chemical Information and Modeling. 55, 5, p. 1030-1034 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
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GPCRdb in 2023: state-specific structure models using AlphaFold2 and new ligand resources
Pándy-Szekeres, Gáspár, Caroli, J., Mamyrbekov, A., Kermani, A. A., Keserű, G. M., Kooistra, Albert J. & Gloriam, David E., 2023, In: Nucleic Acids Research. 51, D1, p. D395–D402Research output: Contribution to journal › Journal article › 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
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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
Analyzing multitarget activity landscapes using protein-ligand interaction fingerprints: Interaction cliffs
Méndez-Lucio, O., Kooistra, Albert J., Graaf, C. D., Bender, A. & Medina-Franco, J. L., 23 Feb 2015, In: Journal of Chemical Information and Modeling. 55, 2, p. 251-262 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen
AstraZeneca-Sanger Drug Combination DREAM Consortium, A. D. C. D. C., 1 Dec 2019, In: Nature Communications. 10, 1, 17 p., 2674.Research output: Contribution to journal › Journal article › Research › peer-review
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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
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine
McGuire, R., Verhoeven, S., Vass, M., Vriend, G., De Esch, I. J. P., Lusher, S. J., Leurs, R., Ridder, L., Kooistra, Albert J., Ritschel, T. & De Graaf, C., 27 Feb 2017, In: Journal of Chemical Information and Modeling. 57, 2, p. 115-121 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
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
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
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
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The Landscape of Atypical and Eukaryotic Protein Kinases
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KLIFS: an overhaul after the first 5 years of supporting kinase research
Research output: Contribution to journal › Journal article › Research › peer-review
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