4ZLZ
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4Z3V
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5UOR
| Structure-Based Design of ASK1 Inhibitors as Potential First-in-Class Agents for Heart Failure | Descriptor: | 6-{[(2S)-4-methylmorpholin-2-yl]methoxy}-2-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-2,3-dihydro-1H-isoindol-1-one, Mitogen-activated protein kinase kinase kinase 5, SULFATE ION | Authors: | Dougan, D.R. | Deposit date: | 2017-02-01 | Release date: | 2017-06-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure. ACS Med Chem Lett, 8, 2017
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5V4X
| Human glucokinase in complex with novel pyrazole activator. | Descriptor: | (2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | Authors: | Skene, R.J, Hosfiled, D.J. | Deposit date: | 2017-03-10 | Release date: | 2017-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators. Bioorg. Med. Chem. Lett., 27, 2017
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5UP3
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2GHL
| Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743 | Descriptor: | 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Brugel, T.A. | Deposit date: | 2006-03-27 | Release date: | 2006-04-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
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2GHM
| Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 | Descriptor: | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | Authors: | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A. | Deposit date: | 2006-03-27 | Release date: | 2006-05-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1. Bioorg.Med.Chem.Lett., 16, 2006
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7MBR
| Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (apo state) | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBS
| Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (open state) | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBT
| Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (low calcium occupancy in the transmembrane domain) | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBQ
| Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBU
| Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (high calcium occupancy in the transmembrane domain) | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBV
| Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium and 0.5 mM NDNA | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBP
| Cryo-EM structure of zebrafish TRPM5 in the presence of 1 mM EDTA | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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5M6U
| HUMAN PI3KDELTA IN COMPLEX WITH LASW1579 | Descriptor: | 4-azanyl-6-[[(1~{S})-1-(4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Segarra, V, Hernandez, B, Lozoya, E, Blaesse, M, Hoeppner, S, Jestel, A. | Deposit date: | 2016-10-26 | Release date: | 2017-02-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Discovery of a Potent, Selective, and Orally Available PI3K delta Inhibitor for the Treatment of Inflammatory Diseases. ACS Med Chem Lett, 8, 2017
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6G6W
| HUMAN PI3KDELTA IN COMPLEX WITH LIGAND LASW1976 | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide | Authors: | Segarra, V, Hernandez, B, Jestel, A, Mortel, M, Nagel, S. | Deposit date: | 2018-04-03 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Discovery of a Novel Inhaled PI3K delta Inhibitor for the Treatment of Respiratory Diseases. J. Med. Chem., 61, 2018
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