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PDB: 222 件
7FVU
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BU of 7fvu by Molmil
Crystal Structure of human FABP4 in complex with 2-[2-(benzothiophen-3-yl)-2,3-dihydrobenzothiophene-3-carbonyl]benzoic acid
分子名称: 2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FVV
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BU of 7fvv by Molmil
Crystal Structure of human FABP4 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid
分子名称: (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FVW
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BU of 7fvw by Molmil
Crystal Structure of human FABP4 in complex with 2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid
分子名称: 2-[2-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FVX
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BU of 7fvx by Molmil
Crystal Structure of human FABP4 in complex with 4-(1-methyl-2-phenylindol-3-yl)cyclohexane-1-carboxylic acid, i.e. SMILES c1ccc2c(c1)C(=C(N2C)c1ccccc1)[C@@H]1CC[C@@H](CC1)C(=O)O with IC50=0.048 microM
分子名称: (1s,4s)-4-(1-methyl-2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte
著者Ehler, A, Benz, J, Obst, U, Lerner, C, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FVY
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BU of 7fvy by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
分子名称: 2-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FVZ
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BU of 7fvz by Molmil
Crystal Structure of human FABP4 in complex with (E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methyl-hex-4-enoic acid
分子名称: (4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
7FW0
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BU of 7fw0 by Molmil
Crystal Structure of human FABP4 in complex with 3-methyl-2-(2,4,5-trichlorophenyl)sulfanylbutanoic acid, i.e. SMILES c1(c(cc(c(c1)Cl)S[C@@H](C(=O)O)C(C)C)Cl)Cl with IC50=3.5 microM
分子名称: (2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW1
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BU of 7fw1 by Molmil
Crystal Structure of human FABP4 in complex with 2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine, i.e. SMILES c1(c(nc(c(c1c1ccc(cc1)F)C1=NN=NN1)C1(CCCC1)COC)C1CCCC1)C with IC50=0.0153077 microM
分子名称: (5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Kuhne, H, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW2
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BU of 7fw2 by Molmil
Crystal Structure of human FABP4 in complex with 5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1COc1ccc(Cl)cc1)S)CC=C with IC50=0.833 microM
分子名称: 5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW3
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BU of 7fw3 by Molmil
Crystal Structure of human FABP4 in complex with 7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, i.e. SMILES c12c(ccc(c2)c2ccc(cc2)Cl)CCC[C@H]1C(=O)O with IC50=3.3 microM
分子名称: (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Canesso, R, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW4
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BU of 7fw4 by Molmil
Crystal Structure of human FABP4 soaked with glycerol
分子名称: Fatty acid-binding protein, adipocyte, GLYCEROL, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW5
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BU of 7fw5 by Molmil
Crystal Structure of human FABP4 with active site mutated to that of FABP3 in complex with palmitate
分子名称: Fatty acid-binding protein, adipocyte, PALMITIC ACID
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW6
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BU of 7fw6 by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid, i.e. SMILES O(c1ccccc1)[C@H]1CC[C@H]([C@H](C1)COc1cccc(c1)Cl)C(=O)O with IC50=0.259424 microM
分子名称: (1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW7
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BU of 7fw7 by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid, i.e. SMILES C(=O)([C@H]1[C@@H](C(=O)O)CCCC1)Nc1cc(c(cc1)F)Cl with IC50=12.0427 microM
分子名称: (1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FW8
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BU of 7fw8 by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid, i.e. SMILES c1(c(c2c(nc1C)ccc(c2)Cl)c1ccccc1)C(=O)O with IC50=0.275 microM
分子名称: 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Crystal Structure of a human FABP4 binding site mutated to that of FABP3 complex
To be published
7FW9
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BU of 7fw9 by Molmil
Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1CCC2=C(C1)C(=C(S2)NC(=O)C1=C(C(=O)O)CCC1)C(=O)OCC with IC50=1.1 microM
分子名称: 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWA
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BU of 7fwa by Molmil
Crystal Structure of human FABP4 in complex with 5-[(4-chloroanilino)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES N12C(=NC(=N1)c1ccccc1)NC(=CC2=O)CNc1ccc(Cl)cc1 with IC50=0.683 microM
分子名称: (8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWB
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BU of 7fwb by Molmil
Crystal Structure of human FABP4 in complex with 5-[2-(2,4-dichlorophenoxy)phenyl]-1H-tetrazole, i.e. SMILES c1(c(Oc2c(cc(cc2)Cl)Cl)cccc1)C1=NN=NN1 with IC50=1.2 microM
分子名称: (5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWC
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BU of 7fwc by Molmil
Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-2-(hydroxymethylene)cyclohexane-1,3-dione
分子名称: (2seqTrans,5S)-5-(4-chlorophenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWD
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BU of 7fwd by Molmil
Crystal Structure of human FABP4 in complex with 3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoic acid, i.e. SMILES N1(C(=CC=C1CCC(=O)O)c1ccc(cc1)F)c1ccc(C(=O)N)cc1 with IC50=0.263 microM
分子名称: 3-[1-(4-carbamoylphenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]propanoic acid, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWE
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BU of 7fwe by Molmil
Crystal Structure of human FABP4 in complex with 3-(4-chlorophenyl)sulfanylbutanoic acid
分子名称: (3S)-3-[(4-chlorophenyl)sulfanyl]butanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWF
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BU of 7fwf by Molmil
Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid, i.e. SMILES c1(c(nc(c(c1)C(=O)O)C(F)(F)F)OCC(F)(F)F)C1CCCCC1 with IC50=0.733066 microM
分子名称: 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
7FWG
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BU of 7fwg by Molmil
Crystal Structure of human FABP4 in complex with 1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES c1(cc(c(cc1)Cl)Oc1ccccc1)CN1C(=O)C=C(C=C1)O with IC50=0.319 microM
分子名称: 1-[(4-chloro-3-phenoxyphenyl)methyl]-4-hydroxypyridin-2(1H)-one, Fatty acid-binding protein, adipocyte, ...
著者Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWH
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BU of 7fwh by Molmil
Crystal Structure of human FABP4 in complex with 3-[5-(3,5-dichlorophenyl)tetrazol-2-yl]propanoic acid, i.e. SMILES C1(=NN(N=N1)CCC(=O)O)c1cc(cc(c1)Cl)Cl with IC50=7.8 microM
分子名称: 3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid, FORMIC ACID, Fatty acid-binding protein, ...
著者Ehler, A, Benz, J, Obst, U, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structure of a human FABP4 complex
To be published
7FWI
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BU of 7fwi by Molmil
Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM
分子名称: 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, CHLORIDE ION, Fatty acid-binding protein 5
著者Ehler, A, Benz, J, Obst, U, Ning, R, Rudolph, M.G.
登録日2023-04-27
公開日2023-06-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of a human FABP5 complex
To be published

238895

件を2025-07-16に公開中

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