1OXE
 
 | | Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins | | Descriptor: | cyan fluorescent protein cfp | | Authors: | Hyun Bae, J, Rubini, M, Jung, G, Wiegand, G, Seifert, M.H, Azim, M.K, Kim, J.S, Zumbusch, A, Holak, T.A, Moroder, L, Huber, R, Budisa, N. | | Deposit date: | 2003-04-02 | | Release date: | 2003-12-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
J.Mol.Biol., 328, 2003
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5Y7X
 | | Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist | | Descriptor: | 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-selenazol-5-yl]methylsulfanyl]phenoxy]ethanoic acid, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Kim, H.L, Chin, J.W, Cho, S.J, Song, J.Y, Yoon, H.S, Bae, J.H. | | Deposit date: | 2017-08-18 | | Release date: | 2018-08-01 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.699 Å) | | Cite: | Highly potent and selective PPAR delta agonist reverses memory deficits in mouse models of Alzheimer's disease.
Theranostics, 14, 2024
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6ILU
 | | Endolysin LysPBC5 CBD | | Descriptor: | 1,2-ETHANEDIOL, Lysin, SULFATE ION | | Authors: | Suh, J.Y, Ryu, K.S, Ryu, S, Lee, K.O, Kong, M.S, Bae, J.W, Kim, I.T. | | Deposit date: | 2018-10-19 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Structural Basis for Cell-Wall Recognition by Bacteriophage PBC5 Endolysin.
Structure, 27, 2019
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5Y7W
 | | Crystal structure of the Nco-A1 PAS-B domain with YL-2 | | Descriptor: | Nuclear receptor coactivator 1, YL-2 peptide | | Authors: | Lee, Y.J, Yoon, H.S, Lee, J.H, Bae, J.H, Song, J.Y, Lim, H.S. | | Deposit date: | 2017-08-18 | | Release date: | 2017-11-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Targeted Inhibition of the NCOA1/STAT6 Protein-Protein Interaction
J. Am. Chem. Soc., 139, 2017
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5YSO
 | | Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domain with DN200434 | | Descriptor: | 4-[5-oxidanyl-2-phenyl-1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pent-1-enyl]phenol, Estrogen-related receptor gamma | | Authors: | Cho, S.J, Chin, J.W, Yoon, H.S, Jeon, Y.H, Bae, J.H, Song, J.Y. | | Deposit date: | 2017-11-14 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | A Novel Orally Active Inverse Agonist of Estrogen-related Receptor Gamma (ERR gamma ), DN200434, A Booster of NIS in Anaplastic Thyroid Cancer.
Clin.Cancer Res., 25, 2019
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7QL5
 | | Torpedo muscle-type nicotinic acetylcholine receptor - nicotine-bound conformation | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zarkadas, E, Pebay-Peyroula, E, Baenziger, J, Nury, H. | | Deposit date: | 2021-12-19 | | Release date: | 2022-02-09 | | Last modified: | 2022-05-04 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Conformational transitions and ligand-binding to a muscle-type nicotinic acetylcholine receptor.
Neuron, 110, 2022
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7QKO
 | | Torpedo muscle-type nicotinic acetylcholine receptor - Resting conformation | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Acetylcholine receptor subunit alpha, Acetylcholine receptor subunit beta, ... | | Authors: | Zarkadas, E, Pebay-Peyroula, E, Baenziger, J, Nury, H. | | Deposit date: | 2021-12-18 | | Release date: | 2022-02-09 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Conformational transitions and ligand-binding to a muscle-type nicotinic acetylcholine receptor.
Neuron, 110, 2022
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7QL6
 | | Torpedo muscle-type nicotinic acetylcholine receptor - carbamylcholine-bound conformation | | Descriptor: | 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zarkadas, E, Pebay-Peyroula, E, Baenziger, J, Nury, H. | | Deposit date: | 2021-12-19 | | Release date: | 2022-02-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Conformational transitions and ligand-binding to a muscle-type nicotinic acetylcholine receptor.
Neuron, 110, 2022
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7MYJ
 | | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | | Descriptor: | (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | | Deposit date: | 2021-05-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator.
Biochem.J., 479, 2022
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7M5Z
 | | Crystal Structure of the MerTK Kinase Domain in Complex with Inhibitor MIPS15692 | | Descriptor: | 2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide, Tyrosine-protein kinase Mer | | Authors: | Hermans, S.J, Hancock, N.C, Baell, J.B, Parker, M.W. | | Deposit date: | 2021-03-25 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Development of [ 18 F]MIPS15692, a radiotracer with in vitro proof-of-concept for the imaging of MER tyrosine kinase (MERTK) in neuroinflammatory disease.
Eur.J.Med.Chem., 226, 2021
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6YI9
 | | Crystal structure of the rat cytosolic PCK1, acetylated on Lys244 | | Descriptor: | 1,2-ETHANEDIOL, Phosphoenolpyruvate carboxykinase, cytosolic [GTP] | | Authors: | Latorre-Muro, P, Baeza, J, Hurtado-Guerrero, R, Hicks, T, Delso, I, Hernandez-Ruiz, C, Velazquez-Campoy, A, Lawton, A.J, Angulo, J, Denu, J.M, Carrodeguas, J.A. | | Deposit date: | 2020-04-01 | | Release date: | 2020-12-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Self-acetylation at the active site of phosphoenolpyruvate carboxykinase (PCK1) controls enzyme activity.
J.Biol.Chem., 296, 2021
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6OIR
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62 | | Descriptor: | 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-03 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
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6OWI
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85 | | Descriptor: | GLYCEROL, Histone acetyltransferase KAT8, N'-[(2-fluorophenyl)sulfonyl]benzohydrazide, ... | | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-05-09 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6OIQ
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 63 | | Descriptor: | 2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
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6OIP
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34 | | Descriptor: | 2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-04-09 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
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6OWH
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-05-09 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PDG
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83 | | Descriptor: | 5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.919 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PDA
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74 | | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.448 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PDE
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40 | | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PD9
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60 | | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PDF
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 55 | | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PD8
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39 | | Descriptor: | 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.738 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PDC
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42 | | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PDB
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 | | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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6PDD
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 | | Descriptor: | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | Authors: | Hermans, S.J, Parker, M.W, Thomas, T, Baell, J.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of Acylsulfonohydrazide-Derived Inhibitors of the Lysine Acetyltransferase, KAT6A, as Potent Senescence-Inducing Anti-Cancer Agents.
J.Med.Chem., 63, 2020
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