Albert J. Kooistra
Associate Professor
Pharmaceutical Informatics
Universitetsparken 2
2100 København Ø
3D-e-Chem: Structural Cheminformatics Workflows for Computer-Aided Drug Discovery
Kooistra, Albert J., Vass, M., McGuire, R., Leurs, R., de Esch, I. J. P., Vriend, G., Verhoeven, S. & de Graaf, C., 20 Mar 2018, In: ChemMedChem. 13, 6, p. 614-626 13 p.Research 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
- Published
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
- 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
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
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
- Published
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
- 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
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
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
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
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
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
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
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
- Published
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
- Published
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
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
Electron density fingerprints (EDprints): Virtual screening using assembled information of electron density
Kooistra, Albert J., Binsl, T. W., Van Beek, J. H. G. M., De Graaf, C. & Heringa, J., 25 Oct 2010, In: Journal of Chemical Information and Modeling. 50, 10, p. 1772-1780 9 p.Research output: Contribution to journal › Journal article › 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
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
- 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
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
- Published
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
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
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