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7F80
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BU of 7f80 by Molmil
Co-crystal structure of Inhibitor compound MA-211 in complex with human PPARdelta LBD
分子名称: (3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid, Peroxisome proliferator-activated receptor delta
著者Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N.
登録日2021-06-30
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD
To Be Published
4JOA
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BU of 4joa by Molmil
Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor
分子名称: 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor
著者Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A.
登録日2013-03-18
公開日2013-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode
Bioorg.Med.Chem.Lett., 23, 2013
5XMX
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BU of 5xmx by Molmil
Co-crystal structure of Inhibitor compound in complex with human PPARdelta LBD
分子名称: (E)-6-[2-[[[4-(furan-2-yl)phenyl]carbonyl-methyl-amino]methyl]phenoxy]-4-methyl-hex-4-enoic acid, Peroxisome proliferator-activated receptor delta
著者Lakshminarasimhan, A, Rani, S.T, Senaiar, R.S, Krishnamurthy, N.
登録日2017-05-16
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel highly selective peroxisome proliferator-activated receptor delta (PPAR delta) modulators with pharmacokinetic properties suitable for once-daily oral dosing.
Bioorg. Med. Chem. Lett., 27, 2017
6AHE
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BU of 6ahe by Molmil
Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and AFN-1252
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Rani, S.T, Nataraj, V, Laxminarasimhan, A, Thomas, A, Krishnamurthy, N.
登録日2018-08-17
公開日2019-08-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Ternary complex formation of AFN-1252 with Acinetobacter baumannii FabI and NADH: Crystallographic and biochemical studies.
Chem.Biol.Drug Des., 96, 2020

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件を2024-07-10に公開中

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