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8UEC
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Structure of TREK-1CG*:CAT335a
分子名称: CADMIUM ION, DECANE, HEXADECANE, ...
著者Mondal, A, Lee, H, Minor, D.L.
登録日2023-09-30
公開日2024-06-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Trek-1(S131C mutant) with ML335
To Be Published
8UE2
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BU of 8ue2 by Molmil
Structure of TREK-1CG*:ML335
分子名称: CADMIUM ION, DECANE, HEXADECANE, ...
著者Mondal, A, Lee, H, Minor, D.L.
登録日2023-09-29
公開日2024-06-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of TREK-1CG*:ML335
To Be Published
8UE9
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BU of 8ue9 by Molmil
Structure of TREK-1CG*:CAT335
分子名称: CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ...
著者Mondal, A, Lee, H, Minor, D.L.
登録日2023-09-29
公開日2024-06-26
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of Trek-1(S131C mutant) with ML335
To Be Published
5X6F
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BU of 5x6f by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Pseudomonas aeruginosa
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Phosphopantetheine adenylyltransferase
著者Mondal, A, Chatterjee, R, Datta, S.
登録日2017-02-21
公開日2018-02-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Umbrella Sampling and X-ray Crystallographic Analysis Unveil an Arg-Asp Gate Facilitating Inhibitor Binding Inside Phosphopantetheine Adenylyltransferase Allosteric Cleft.
J Phys Chem B, 122, 2018
7E0A
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BU of 7e0a by Molmil
X-ray structure of human PPARgamma ligand binding domain-saroglitazar co-crystals obtained by co-crystallization
分子名称: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Isoform 2 of Peroxisome proliferator-activated receptor gamma
著者Kamata, S, Honda, A, Uchii, K, Machida, Y, Oyama, T, Ishii, I.
登録日2021-01-27
公開日2021-09-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Structural Basis for Anti-non-alcoholic Fatty Liver Disease and Diabetic Dyslipidemia Drug Saroglitazar as a PPAR alpha / gamma Dual Agonist.
Biol.Pharm.Bull., 44, 2021
7WGO
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BU of 7wgo by Molmil
X-ray structure of human PPAR gamma ligand binding domain-bezafibrate co-rystals obtained by co-crystallization
分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Isoform 1 of Peroxisome proliferator-activated receptor gamma
著者Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2021-12-28
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
7WGQ
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BU of 7wgq by Molmil
X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals obtained by co-crystallization
分子名称: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma
著者Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2021-12-28
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
7WGP
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BU of 7wgp by Molmil
X-ray structure of human PPAR gamma ligand binding domain-fenofibric acid co-crystals obtained by co-crystallization
分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma
著者Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2021-12-28
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
7WGN
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BU of 7wgn by Molmil
X-ray structure of human PPAR delta ligand binding domain-pemafibrate co-crystals obtained by co-crystallization
分子名称: (2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
著者Kamata, S, Honda, A, Akahane, M, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2021-12-28
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.813 Å)
主引用文献Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
7WGL
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BU of 7wgl by Molmil
X-ray structure of human PPAR delta ligand binding domain-bezafibrate co-crystals obtained by co-crystallization
分子名称: 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside
著者Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2021-12-28
公開日2022-05-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Functional and Structural Insights into Human PPAR alpha / delta / gamma Subtype Selectivity of Bezafibrate, Fenofibric Acid, and Pemafibrate.
Int J Mol Sci, 23, 2022
2W7X
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BU of 2w7x by Molmil
Cellular inhibition of checkpoint kinase 2 and potentiation of cytotoxic drugs by novel Chk2 inhibitor PV1019
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide, ...
著者Jobson, A.G, Lountos, G.T, Lorenzi, P.L, Llamas, J, Connelly, J, Tropea, J.E, Onda, A, Kondapaka, S, Zhang, G, Caplen, N.J, Caredellina, J.H, Monks, A, Self, C, Waugh, D.S, Shoemaker, R.H, Pommier, Y.
登録日2009-01-06
公開日2009-09-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Cellular Inhibition of Chk2 Kinase and Potentiation of Camptothecins and Radiation by the Novel Chk2 Inhibitor Pv1019.
J.Pharmacol.Exp.Ther., 331, 2009
6KB9
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BU of 6kb9 by Molmil
X-ray structure of human PPARalpha ligand binding domain-pemafibrate co-crystals obtained by 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 (1.55 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6KB5
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BU of 6kb5 by Molmil
X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic Acid (ETYA) co-crystals obtained by delipidation and cross-seeding
分子名称: GLYCEROL, Peroxisome proliferator-activated receptor alpha, icosa-5,8,11,14-tetraynoic acid
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 (1.95 Å)
主引用文献PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6KB4
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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
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
8HUL
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BU of 8hul by Molmil
X-ray structure of human PPAR delta ligand binding domain-lanifibranor co-crystals obtained by co-crystallization
分子名称: 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor delta
著者Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2022-12-24
公開日2023-08-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.461 Å)
主引用文献Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
8HUN
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BU of 8hun by Molmil
X-ray structure of human PPAR alpha ligand binding domain-seladelpar co-crystals obtained by cross-seeding
分子名称: GLYCEROL, Peroxisome proliferator-activated receptor alpha, Seladelpar
著者Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Iino, S, Oyama, T, Ishii, I.
登録日2022-12-24
公開日2023-08-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
8HUK
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BU of 8huk by Molmil
X-ray structure of human PPAR alpha ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by soaking
分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Peroxisome proliferator-activated receptor alpha
著者Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I.
登録日2022-12-24
公開日2023-08-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.981 Å)
主引用文献Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
8HUQ
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X-ray structure of human PPAR alpha ligand binding domain-elafibranor-SRC1 coactivator peptide co-crystals obtained by soaking
分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 2-[2,6-dimethyl-4-[(~{E})-3-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]-2-methyl-propanoic acid, GLYCEROL, ...
著者Kamata, S, Ishikawa, R, Akahane, M, Honda, A, Oyama, T, Ishii, I.
登録日2022-12-24
公開日2023-08-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
8HUP
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BU of 8hup by Molmil
X-ray structure of human PPAR gamma ligand binding domain-seladelpar-SRC1 coactivator peptide co-crystals obtained by co-crystallization
分子名称: 15-meric peptide from Nuclear receptor coactivator 1, Isoform 1 of Peroxisome proliferator-activated receptor gamma, Seladelpar
著者Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2022-12-24
公開日2023-08-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
8HUM
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BU of 8hum by Molmil
X-ray structure of human PPAR gamma ligand binding domain-lanifibranor-SRC1 coactivator peptide co-crystals obtained by co-crystallization
分子名称: 15-meric peptide from Nuclear receptor coactivator 1, 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid, Isoform 1 of Peroxisome proliferator-activated receptor gamma
著者Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2022-12-24
公開日2023-08-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
8HUO
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BU of 8huo by Molmil
X-ray structure of human PPAR delta ligand binding domain-seladelpar co-crystals obtained by co-crystallization
分子名称: Peroxisome proliferator-activated receptor delta, Seladelpar
著者Kamata, S, Honda, A, Machida, Y, Uchii, K, Shiiyama, Y, Masuda, R, Oyama, T, Ishii, I.
登録日2022-12-24
公開日2023-08-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.671 Å)
主引用文献Functional and Structural Insights into the Human PPAR alpha / delta / gamma Targeting Preferences of Anti-NASH Investigational Drugs, Lanifibranor, Seladelpar, and Elafibranor.
Antioxidants, 12, 2023
8EOI
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Structure of a human EMC:human Cav1.2 channel complex in GDN detergent
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L.
登録日2022-10-03
公開日2023-05-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献EMC chaperone-Ca V structure reveals an ion channel assembly intermediate.
Nature, 619, 2023
8EOG
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Structure of the human L-type voltage-gated calcium channel Cav1.2 complexed with L-leucine
分子名称: (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate, (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, Z, Mondal, A, Abderemane-Ali, F, Minor, D.L.
登録日2022-10-03
公開日2023-05-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献EMC chaperone-Ca V structure reveals an ion channel assembly intermediate.
Nature, 619, 2023
8FD7
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Structure of the human L-type voltage-gated calcium channel Cav1.2 complexed with gabapentin
分子名称: (2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, Z, Mondal, A, Minor, D.L.
登録日2022-12-02
公開日2023-03-22
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for Ca V alpha 2 delta :gabapentin binding.
Nat.Struct.Mol.Biol., 30, 2023

 

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