PDB: 160395 resultsInfo pagesStatus searchChemie searchBIRD

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7OQO	Crystal structure of the human METTL3-METTL14 complex with compound UOZ111 Descriptor: 2-oxidanyl-N-[[(3R)-3-oxidanyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... Authors: Bedi, R.K, Huang, D, Caflisch, A. Deposit date: 2021-06-03 Release date: 2021-10-20 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (3.35 Å) Cite: Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
5MMF	Crystal Structure of CK2alpha with Compound 7 bound Descriptor: (3-chloranyl-4-phenyl-phenyl)methyl-propyl-azanium, ACETATE ION, Casein kinase II subunit alpha Authors: Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. Deposit date: 2016-12-09 Release date: 2017-05-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.99 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
5MO7	Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Descriptor: 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide, Casein kinase II subunit alpha, PHOSPHATE ION Authors: Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. Deposit date: 2016-12-13 Release date: 2017-05-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.15 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
5MOV	Crystal structure of Ck2alpha with ZT0633 bound Descriptor: 4'-HYDROXYCINNAMIC ACID, Casein kinase II subunit alpha Authors: Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. Deposit date: 2016-12-14 Release date: 2017-05-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.2 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
5J71	Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS35 Descriptor: 4-({5-[(piperidin-4-yl)amino]-1,3-dihydro-2H-isoindol-2-yl}sulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ... Authors: Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Wynn, R.M, Chuang, D.T. Deposit date: 2016-04-05 Release date: 2017-01-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors. J. Med. Chem., 60, 2017
6HMX	RIP2 Kinase Catalytic Domain complex with N(4,5dimethyl1Hpyrazol3yl)7methoxy6(2methylpropane2sulfonyl)quinolin4amine Descriptor: 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine, Receptor-interacting serine/threonine-protein kinase 2 Authors: Convery, M.A, Haile, P.A. Deposit date: 2018-09-13 Release date: 2018-11-07 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.53 Å) Cite: Identification of Quinoline-Based RIP2 Kinase Inhibitors with an Improved Therapeutic Index to the hERG Ion Channel. ACS Med Chem Lett, 9, 2018
7OGJ	Crystal structure of human METTL1 in complex with SAH Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Nai, F, Bedi, R.K, Caflisch, A. Deposit date: 2021-05-06 Release date: 2021-05-19 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Small-Molecule Inhibitors of the m7G-RNA Writer METTL1 Acs Bio Med Chem Au, 2023
5MOD	Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Descriptor: (3-chloranyl-4-propan-2-yloxy-phenyl)methanamine, ACETATE ION, Casein kinase II subunit alpha Authors: Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. Deposit date: 2016-12-14 Release date: 2017-05-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.08 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
5MOW	Crystal Structure of CK2alpha with ZT0432 bound Descriptor: 5-bromopyridine-2,3-diamine, ACETATE ION, Casein kinase II subunit alpha Authors: Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. Deposit date: 2016-12-14 Release date: 2017-05-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.86 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
7BA7	Cys-42-tethered stabilizer 9 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-[3,5-bis(chloranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-15 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA5	Cys-42-tethered stabilizer 7 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-(4-fluoranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-15 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA9	Cys-42-tethered stabilizer 11 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-methyl-2-(4-methylphenoxy)-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-15 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BAA	Cys-42-tethered stabilizer 12 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-15 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7B9T	Cys-45-tethered stabilizer 5 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-(4-chlorophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)ethanamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-14 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA8	Cys-42-tethered stabilizer 10 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-methyl-2-phenoxy-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-15 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA6	Cys-42-tethered stabilizer 8 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-[3,5-bis(fluoranyl)phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-15 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BAB	Cys-42-tethered stabilizer 13 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-[2-chloranyl-4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenoxy]-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-15 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7B9M	Cys-45-tethered stabilizer 3 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-(2-cyanophenyl)sulfanyl-~{N}-(2-sulfanylethyl)benzamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-14 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7B9R	Cys-45-tethered stabilizer 4 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-(2-cyanophenyl)sulfanyl-~{N}-(3-sulfanylpropyl)benzamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-14 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7BA3	Cys-42-tethered stabilizer 6 of 14-3-3(sigma)/ERa PPI Descriptor: 14-3-3 protein sigma, 2-(4-bromanylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen receptor, ... Authors: Sijbesma, E, Ottmann, C. Deposit date: 2020-12-15 Release date: 2021-07-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Exploration of a 14-3-3 PPI Pocket by Covalent Fragments as Stabilizers. Acs Med.Chem.Lett., 12, 2021
7RSY	HIV-1 gp120 complex with CJF-III-049-R Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 Clade C1086, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide Authors: Liang, S, Hendrickson, W.A. Deposit date: 2021-08-12 Release date: 2022-06-08 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. Acs Med.Chem.Lett., 12, 2021
5MMR	Crystal Structure of CK2alpha with N-((2-chloro-[1,1'-biphenyl]-4-yl)methyl)butane-1,4-diamine bound Descriptor: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... Authors: Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. Deposit date: 2016-12-12 Release date: 2017-05-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
5MO8	Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Descriptor: 3-[[3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoyl]amino]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... Authors: Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. Deposit date: 2016-12-13 Release date: 2017-05-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.82 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
5MO6	Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Descriptor: 3-[3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propylamino]-3-oxidanylidene-propanoic acid, ACETATE ION, Casein kinase II subunit alpha, ... Authors: Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. Deposit date: 2016-12-13 Release date: 2017-05-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.825 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
5MO5	Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound Descriptor: ACETATE ION, Casein kinase II subunit alpha, PHOSPHATE ION, ... Authors: Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. Deposit date: 2016-12-13 Release date: 2017-05-24 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.04 Å) Cite: A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017

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