6XZ8
 
 | | Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide | | Descriptor: | Cytochrome P450 11B2, mitochondrial, HEME C, ... | | Authors: | Kuglstatter, A, Joseph, C, Benz, J. | | Deposit date: | 2020-02-03 | | Release date: | 2020-06-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
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6XZ9
 | | Structure of aldosterone synthase (CYP11B2) in complex with 5-chloro-3,3-dimethyl-2-[5-[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]oxy-3-pyridyl]isoindolin-1-one | | Descriptor: | 5-chloranyl-3,3-dimethyl-2-[5-[1-(1-methylpyrazol-4-yl)carbonylazetidin-3-yl]oxypyridin-3-yl]isoindol-1-one, Cytochrome P450 11B2, mitochondrial, ... | | Authors: | Kuglstatter, A, Joseph, C, Benz, J. | | Deposit date: | 2020-02-03 | | Release date: | 2020-06-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Discovery of 3-Pyridyl Isoindolin-1-one Derivatives as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors.
J.Med.Chem., 63, 2020
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5T7D
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5T7E
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7FEH
 | | Crystal structure of human DDR1 in complex with CH5541127 | | Descriptor: | Epithelial discoidin domain-containing receptor 1, N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide, NITRATE ION | | Authors: | Fukami, T.A, Kadono, S, Matsuura, T. | | Deposit date: | 2021-07-20 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Novel potent and highly selective DDR1 inhibitors from integrated lead finding
Medicinal Chemistry Research, 32, 2023
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5SAV
 | | DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 1.760A, P212121, Rfree=23.5% | | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide | | Authors: | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Crystal Structure of a DDR1 complex
To be published
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5SAY
 | | DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 2.190A, P1211, Rfree=27.7% | | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide | | Authors: | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal Structure of a DDR1 complex
To be published
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5SB2
 | | DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.600A, P212121, Rfree=23.2% | | Descriptor: | 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | | Authors: | Stihle, M, Richter, H, Benz, J, Kocer, B, Hochstrasser, R, Rudolph, M.G. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structure of a DDR1 complex
To be published
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5SB1
 | | DDR1, 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide, 1.530A, P212121, Rfree=21.4% | | Descriptor: | 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide, Epithelial discoidin domain-containing receptor 1, SULFATE ION | | Authors: | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Crystal Structure of a DDR1 complex
To be published
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5SAU
 | | DDR1, 3-[2-(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, 1.800A, P212121, Rfree=23.1% | | Descriptor: | 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, Epithelial discoidin domain-containing receptor 1, MALONATE ION | | Authors: | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of a DDR1 complex
To be published
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5SAZ
 | | DDR1, 3-chloro-N-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-(2-hydroxyethylamino)benzamide, 1.802A, P212121, Rfree=22.2% | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl)amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, CHLORIDE ION, ... | | Authors: | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of a DDR1 complex
To be published
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5SAX
 | | DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.902A, second P212121 form, Rfree=25.4%, second form | | Descriptor: | 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | | Authors: | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Crystal Structure of a DDR1 complex
To be published
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5SAW
 | | DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.601A, P212121, Rfree=22.6% | | Descriptor: | 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide, Epithelial discoidin domain-containing receptor 1, IODIDE ION | | Authors: | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystal Structure of a DDR1 complex
To be published
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5SB0
 | | DDR1, N-[[2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide, 1.970A, P212121, Rfree=25.6% | | Descriptor: | CHLORIDE ION, Epithelial discoidin domain-containing receptor 1, IODIDE ION, ... | | Authors: | Stihle, M, Richter, H, Benz, J, Hochstrasser, R, Rudolph, M.G. | | Deposit date: | 2021-06-22 | | Release date: | 2022-06-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal Structure of a DDR1 complex
To be published
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