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6KB4
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BU of 6kb4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by delipidation and cross-seeding
分子名称: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-06-24
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6KYP
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BU of 6kyp by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-clofibric acid co-crystals obtained by delipidation and co-crystallization
分子名称: 2-(4-chloranylphenoxy)-2-methyl-propanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-09-19
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6L37
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BU of 6l37 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-ciprofibrate co-crystals obtained by delipidation and co-crystallization
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-10-09
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6L36
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BU of 6l36 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-fenofibric acid co-crystals obtained by delipidation and co-crystallization
分子名称: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-10-09
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.301 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6L38
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BU of 6l38 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW9662-gemfibrozil co-crystals obtained by delipidation and co-crystallization
分子名称: 2-chloro-5-nitro-N-phenylbenzamide, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-10-09
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.761 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LX4
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BU of 6lx4 by Molmil
X-ray structure of human PPARalpha ligand binding domain-fenofibric acid co-crystals obtained by delipidation and co-crystallization
分子名称: 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LX9
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BU of 6lx9 by Molmil
X-ray structure of human PPARalpha ligand binding domain-arachidonic acid co-crystals obtained by delipidation and cross-seeding
分子名称: ARACHIDONIC ACID, GLYCEROL, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LX6
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BU of 6lx6 by Molmil
X-ray structure of human PPARalpha ligand binding domain-palmitic acid co-crystals obtained by delipidation and cross-seeding
分子名称: GLYCEROL, PALMITIC ACID, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LXB
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BU of 6lxb by Molmil
X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by soaking
分子名称: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LX5
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BU of 6lx5 by Molmil
X-ray structure of human PPARalpha ligand binding domain-ciprofibrate co-crystals obtained by delipidation and co-crystallization
分子名称: 2-{4-[(1S)-2,2-dichlorocyclopropyl]phenoxy}-2-methylpropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6KB3
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BU of 6kb3 by Molmil
X-ray structure of human PPARalpha ligand binding domain-GW7647 co-crystals obtained by delipidation and cross-seeding
分子名称: 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-06-24
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LXA
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BU of 6lxa by Molmil
X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA) co-crystals obtained by delipidation and cross-seeding
分子名称: 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LX8
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BU of 6lx8 by Molmil
X-ray structure of human PPARalpha ligand binding domain-oleic acid co-crystals obtained by delipidation and cross-seeding
分子名称: GLYCEROL, OLEIC ACID, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6KB7
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BU of 6kb7 by Molmil
X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by delipidation and cross-seeding
分子名称: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-06-24
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LX7
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BU of 6lx7 by Molmil
X-ray structure of human PPARalpha ligand binding domain-stearic acid co-crystals obtained by delipidation and cross-seeding
分子名称: GLYCEROL, Peroxisome proliferator-activated receptor alpha, STEARIC ACID
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LXC
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BU of 6lxc by Molmil
X-ray structure of human PPARalpha ligand binding domain-saroglitazar co-crystals obtained by delipidation and cross-seeding
分子名称: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Honda, A, Ishikawa, R, Akahane, M, Oyama, T, Ishii, I.
登録日2020-02-10
公開日2020-11-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6KB6
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BU of 6kb6 by Molmil
X-ray structure of human PPARalpha ligand binding domain-tetradecylthioacetic acid (TTA) co-crystals obtained by delipidation and cross-seeding
分子名称: 2-tetradecylsulfanylethanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
登録日2019-06-24
公開日2020-11-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.431 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
8F5G
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BU of 8f5g by Molmil
NusG-RNA complex
分子名称: DI(HYDROXYETHYL)ETHER, RNA, Transcription termination/antitermination protein NusG
著者Elghondakly, A.T, Ferre-D'Amare, A.R.
登録日2022-11-14
公開日2023-11-22
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Major-groove sequence-specific RNA recognition by LoaP, a paralog of transcription elongation factor NusG.
Structure, 2024
6VQL
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BU of 6vql by Molmil
CRYSTAL STRUCTURE OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK4-WT) COMPLEX WITH A NICOTINAMIDE INHIBITOR
分子名称: 6-[(1,3-benzothiazol-6-yl)amino]-4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Sack, J.S.
登録日2020-02-05
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.069 Å)
主引用文献Optimization of Nicotinamides as Potent and Selective IRAK4 Inhibitors with Efficacy in a Murine Model of Psoriasis.
Acs Med.Chem.Lett., 11, 2020
4RUK
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BU of 4ruk by Molmil
crystal structure of Phosphoapantetheine adenylyltransferase PPAT/CoaD with CoA and pyrophosphate from Pseudomonas aeruginosa
分子名称: ACETATE ION, CALCIUM ION, COENZYME A, ...
著者Chatterjee, R, Datta, S.
登録日2014-11-20
公開日2015-11-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Transition of phosphopantetheine adenylyltransferase from catalytic to allosteric state is characterized by ternary complex formation in Pseudomonas aeruginosa
Biochim.Biophys.Acta, 1864, 2016
6NZR
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BU of 6nzr by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
分子名称: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZQ
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BU of 6nzq by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_29 AKA 6-[(5-FLUORO-4-METH YLPYRIDIN-2-YL)AMINO]-4-({2-METHOXY-3-[(PYRIDIN-2-YLMETHYL )CARBAMOYL]PHENYL}AMINO)-N-METHYLPYRIDINE-3-CARBOXAMIDE
分子名称: 6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
6NZP
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BU of 6nzp by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-11 AKA 6-CYCLOPROPANEAMIDO-4-{[2-METHOXY-3-(1-METHYL-1H-1,2,4-TRI AZOL-3-YL)PHENYL]AMINO}-N-(?H?)METHYLPYRIDAZINE-3-CARBOXAMIDE
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, CHLORIDE ION, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019
2G5X
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BU of 2g5x by Molmil
Crystal structure of lychnin a type 1 Ribosome Inactivating Protein (RIP)
分子名称: Ribosome-inactivating protein
著者Fermani, S, Falini, G, Tosi, G, Ripamonti, A, Polito, L, Bolognesi, A, Stirpe, F.
登録日2006-02-23
公開日2007-03-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of lychnin a type 1 Ribosome Inactivating Protein (RIP)
To be Published
7K7Q
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BU of 7k7q by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021

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件を2024-08-07に公開中

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