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6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Joy, J.
Deposit date:2018-10-10
Release date:2019-08-14
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
5ZMA
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BU of 5zma by Molmil
Structural basis for an allosteric Eya2 phosphatase inhibitor
Descriptor: 3-fluoro-N'-[(E)-{5-[(pyrimidin-2-yl)sulfanyl]furan-2-yl}methylidene]benzohydrazide, Eyes absent homolog 2
Authors:Anantharajan, J, Jansson, A.E, Kang, C.
Deposit date:2018-04-02
Release date:2019-06-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.175 Å)
Cite:Structural and Functional Analyses of an Allosteric EYA2 Phosphatase Inhibitor That Has On-Target Effects in Human Lung Cancer Cells.
Mol.Cancer Ther., 18, 2019
5XWR
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BU of 5xwr by Molmil
Crystal Structure of RBBP4-peptide complex
Descriptor: Histone-binding protein RBBP4, MET-SER-ARG-ARG-LYS-GLN-ALA-LYS-PRO-GLN-HIS-ILE
Authors:Jobichen, C, Lui, B.H, Daniel, G.T, Sivaraman, J.
Deposit date:2017-06-30
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Targeting cancer addiction for SALL4 by shifting its transcriptome with a pharmacologic peptide.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6JLR
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BU of 6jlr by Molmil
Crystal structure of wild type MNK2 in complex with inhibitor
Descriptor: 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide, MAP kinase-interacting serine/threonine-protein kinase 2
Authors:Baburajendran, N, Hill, J.
Deposit date:2019-03-06
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2.
J.Med.Chem., 63, 2020
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
Descriptor: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
Authors:Baburajendran, N, Anna E, J.
Deposit date:2017-10-11
Release date:2018-10-17
Last modified:2019-07-10
Method:X-RAY DIFFRACTION (2.135 Å)
Cite:Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
7DXL
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BU of 7dxl by Molmil
Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors
Descriptor: 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile, Tyrosine-protein kinase Mer
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-01-19
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.146 Å)
Cite:Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.
Bioorg.Med.Chem., 49, 2021
7F8G
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BU of 7f8g by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
Descriptor: 3-phenoxy-~{N}-[(~{E})-(5-pyrimidin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-07-02
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.491 Å)
Cite:Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022
7F8H
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BU of 7f8h by Molmil
Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase
Descriptor: 3-fluoranyl-~{N}-[(~{E})-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide, Eyes absent homolog 2
Authors:Anantharajan, J, Baburajendran, N.
Deposit date:2021-07-02
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-activity relationship studies of allosteric inhibitors of EYA2 tyrosine phosphatase.
Protein Sci., 31, 2022

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