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6WL6
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BU of 6wl6 by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(2R)-1-AMINO-4-METHYLPENTAN-2-YL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
分子名称: 6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2020-04-18
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
6WKZ
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BU of 6wkz by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-[(1R)-2-AMINO-1-PHENYLETHYL]-3-(PYRIDIN-3-YL)-4H,5H,6H,7H-THIENO[2,3-C]PYRIDIN-7-ONE
分子名称: 6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2020-04-17
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献New Series of Potent Allosteric Inhibitors of Deoxyhypusine Synthase.
Acs Med.Chem.Lett., 11, 2020
6P4V
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BU of 6p4v by Molmil
1.65 Angstrom ternary complex of Deoxyhypusine synthase with cofactor NAD and spermidine mimic inhibitor GC7
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1-GUANIDINIUM-7-AMINOHEPTANE, Deoxyhypusine synthase, ...
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-05-28
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
6PGR
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BU of 6pgr by Molmil
Cocomplex structure of Deoxyhypusine synthase with inhibitor 6-BROMO-N-(1H-INDOL-4-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
分子名称: 6-bromo-N-(1H-indol-4-yl)-1-benzothiophene-2-carboxamide, Deoxyhypusine synthase
著者Klein, M.G, Ambrus-Aikelin, G.
登録日2019-06-24
公開日2020-04-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.
J.Med.Chem., 63, 2020
8ETR
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BU of 8etr by Molmil
CryoEM Structure of NLRP3 NACHT domain in complex with G2394
分子名称: (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Murray, J.M, Johnson, M.C.
登録日2022-10-17
公開日2022-11-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
J.Med.Chem., 65, 2022

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件を2024-07-31に公開中

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