Albert J. Kooistra

Albert J. Kooistra

Associate Professor


  1. 2024
  2. 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. 84-96

    Research output: Contribution to journalJournal articleResearchpeer-review

  3. 2023
  4. 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. 531–535

    Research output: Contribution to journalComment/debateResearchpeer-review

  5. 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–D402

    Research output: Contribution to journalJournal articleResearchpeer-review

  6. 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 journalJournal articleResearchpeer-review

  7. 2022
  8. 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. 2600–2616

    Research output: Contribution to journalJournal articleResearchpeer-review

  9. 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-D525

    Research output: Contribution to journalJournal articleResearchpeer-review

  10. 2021
  11. 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 journalJournal articleResearchpeer-review

  12. 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. 875-878

    Research output: Contribution to journalJournal articleResearchpeer-review

  13. 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. 879-888

    Research output: Contribution to journalJournal articleResearchpeer-review

  14. 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-D343

    Research output: Contribution to journalJournal articleResearchpeer-review

  15. 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-D569

    Research output: Contribution to journalJournal articleResearchpeer-review

  16. 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 pp

    Research output: Contribution to journalJournal articleResearchpeer-review

  17. 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. 527-565

    Research output: Contribution to journalReviewResearchpeer-review

  18. 2020
  19. 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, Sexton, P. M. & Wootten, D., 2020, In: Molecular Cell. 80, 3, p. 485-500

    Research output: Contribution to journalJournal articleResearchpeer-review

  20. 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. 961-968

    Research output: Contribution to journalJournal articleResearchpeer-review

  21. 2019
  22. 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 journalJournal articleResearchpeer-review

  23. 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 journalJournal articleResearchpeer-review

  24. 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 journalReviewResearchpeer-review

  25. 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 journalJournal articleResearchpeer-review

  26. 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 journalJournal articleResearchpeer-review

  27. 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 journalJournal articleResearchpeer-review

  28. 2018
  29. 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 journalJournal articleResearchpeer-review

  30. 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 journalJournal articleResearchpeer-review

  31. 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 journalReviewResearchpeer-review

  32. 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 journalJournal articleResearchpeer-review

  33. 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 journalJournal articleResearchpeer-review

  34. 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 proceedingBook chapterResearchpeer-review

  35. 2017
  36. 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 proceedingBook chapterResearchpeer-review

  37. 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 journalJournal articleResearchpeer-review

  38. 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 proceedingBook chapterResearchpeer-review

  39. 2016
  40. 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 journalJournal articleResearchpeer-review

  41. 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 journalReviewResearchpeer-review

  42. 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 journalReviewResearchpeer-review

  43. 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 journalJournal articleResearchpeer-review

  44. 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-D371

    Research output: Contribution to journalJournal articleResearchpeer-review

  45. 2015
  46. 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 journalJournal articleResearchpeer-review

  47. 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 journalJournal articleResearchpeer-review

  48. 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 journalJournal articleResearchpeer-review

  49. 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 journalJournal articleResearchpeer-review

  50. 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 journalJournal articleResearchpeer-review

  51. 2014
  52. 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 journalReviewResearchpeer-review

  53. 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 proceedingBook chapterResearchpeer-review

  54. 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 journalReviewResearchpeer-review

  55. 2013
  56. 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 journalJournal articleResearchpeer-review

  57. 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 journalJournal articleResearchpeer-review

  58. 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 journalJournal articleResearchpeer-review

  59. 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 proceedingBook chapterResearchpeer-review

  60. 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 journalJournal articleResearchpeer-review

  61. 2012
  62. 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 journalJournal articleResearchpeer-review

  63. 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 journalJournal articleResearchpeer-review

  64. 2011
  65. 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 journalJournal articleResearchpeer-review

  66. 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 journalJournal articleResearchpeer-review

  67. 2010
  68. 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 journalJournal articleResearchpeer-review

ID: 196033213