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PDB: 3 results

9NNI
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BU of 9nni by Molmil
Crystal structure of CYP46A1 with cyclopropyl[(4M)-4-(1,3-oxazol-5-yl)-6-(trifluoromethyl)-1H-indol-1-yl]methanone (compound 2b)
Descriptor: 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Yano, J, Skene, R.J.
Deposit date:2025-03-05
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of a novel series of cholesterol 24-hydroxylase (CH24H) inhibitors bearing 1,3-oxazole as a heme-iron binding group.
Bioorg.Med.Chem., 128, 2025
9NNE
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BU of 9nne by Molmil
Crystal structure of CYP46A1 with (morpholin-4-yl)[(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (compound 2h)
Descriptor: (morpholin-4-yl)[(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yano, J, Skene, R.J.
Deposit date:2025-03-05
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-based design of a novel series of cholesterol 24-hydroxylase (CH24H) inhibitors bearing 1,3-oxazole as a heme-iron binding group.
Bioorg.Med.Chem., 128, 2025
9NNA
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BU of 9nna by Molmil
Crystal structure of CYP46A1 with [(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone (compound 3k)
Descriptor: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
Authors:Yano, J, Skene, R.J.
Deposit date:2025-03-05
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-based design of a novel series of cholesterol 24-hydroxylase (CH24H) inhibitors bearing 1,3-oxazole as a heme-iron binding group.
Bioorg.Med.Chem., 128, 2025

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PDB entries from 2025-07-30

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