7FYB
 
 | | Crystal Structure of human FABP4 in complex with rac-(1R,2S,4R)-2-[(3-chlorobenzoyl)amino]-4-phenoxycyclohexane-1-carboxylic acid, i.e. SMILES C1[C@H](C[C@@H]([C@@H](C1)C(=O)O)NC(=O)c1cc(ccc1)Cl)Oc1ccccc1 with IC50=4.26773 microM | | Descriptor: | (1R,2S,4R)-2-(3-chlorobenzamido)-4-phenoxycyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FYU
 | | Crystal Structure of human FABP4 in complex with 2-benzyl-6-tert-butyl-3-methyl-4-phenyl-5-(1H-tetrazol-5-yl)pyridine, i.e. SMILES N1C(=NN=N1)c1c(nc(c(c1c1ccccc1)C)Cc1ccccc1)C(C)(C)C with IC50=0.176219 microM | | Descriptor: | (2R,3S,4S)-6-benzyl-2-tert-butyl-5-methyl-4-phenyl-3-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydropyridine, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7G1C
 | | Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@H]([C@H](C1)C(=O)O)COc1cc(ccc1)C with IC50=1.28108 microM | | Descriptor: | (1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FZ6
 | | Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-(phenoxymethyl)cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@H]([C@H](C1)C(=O)O)COc1ccccc1 with IC50=5.74145 microM | | Descriptor: | (1S,2R)-2-(phenoxymethyl)cyclohexane-1-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Buettelmann, B, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.09 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FYA
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7G1X
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7G0X
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with isoquinolin-3-amine | | Descriptor: | Fatty acid-binding protein, adipocyte, MYRISTIC ACID, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Hobbs, C, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
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7G0Y
 | | Crystal Structure of human FABP4 in complex with 2-(2-methoxyanilino)benzoic acid | | Descriptor: | 2-(2-methoxyanilino)benzoic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Gurien, H, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7G03
 | | Crystal Structure of human FABP4 in complex with 6-fluoro-1,3-benzothiazol-2-amine | | Descriptor: | 6-fluoro-1,3-benzothiazol-2-amine, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Winternitz, P, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FX2
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[[6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid, i.e. SMILES N(C(=O)C1=C(CCCC1)C(=O)O)C1=C(C2=NC(=CS2)C)C2=C(S1)CC(CC2)(F)F with IC50=0.0587459 microM | | Descriptor: | 2-{[(3M)-6,6-difluoro-3-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid, Fatty acid-binding protein, adipocyte | | Authors: | Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
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7FY3
 | | Crystal Structure of human FABP4 in complex with sulfate | | Descriptor: | DIMETHYL SULFOXIDE, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of human FABP4 in complex with sulfate
To be published
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7FWU
 | | Crystal Structure of human FABP4 in complex with 2-(fluoren-9-ylidenemethyl)-4-hydroxy-2,3-dihydropyran-6-one, i.e. SMILES C1(=C[C@H]2CC(=CC(=O)O2)O)c2c(-c3c1cccc3)cccc2 with IC50=0.103 microM | | Descriptor: | (6S)-6-{[(4aM)-9H-fluoren-9-ylidene]methyl}-4-hydroxy-5,6-dihydro-2H-pyran-2-one, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Wu, H, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FXI
 | | Crystal Structure of human FABP4 in complex with rac-(1R,3S)-2,2-dimethyl-3-[(2-phenylphenyl)carbamoyl]cyclopropane-1-carboxylic acid, i.e. SMILES C(=O)(O)[C@@H]1[C@H](C(=O)Nc2ccccc2c2ccccc2)C1(C)C with IC50=0.582 microM | | Descriptor: | (1S,3R)-3-[([1,1'-biphenyl]-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid, CHLORIDE ION, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FXV
 | | Crystal Structure of human FABP4 in complex with 6-[(4-methoxyphenyl)methyl]-2H-1,2,4-triazine-3,5-dithione | | Descriptor: | 1,2-ETHANEDIOL, 6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5(2H,4H)-dithione, DIMETHYL SULFOXIDE, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Koch, W, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.88 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7G0Q
 | | Crystal Structure of human FABP4 in complex with 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid | | Descriptor: | 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Gehrig, E, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FZ1
 | | Crystal Structure of human FABP4 in complex with 3-[(E)-anilino-(2-oxo-1H-indol-3-ylidene)methyl]sulfanylpropanoic acid | | Descriptor: | 3-{[(E)-anilino(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]sulfanyl}propanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Mischke, S, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FZD
 | | Crystal Structure of human FABP4 in complex with 3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid, i.e. SMILES [C@@H]12C(=NO[C@@H]1C[C@H](C2)C(=O)O)c1ccc(cc1)Cl with IC50=6.1 microM | | Descriptor: | (1R,3R,4S)-3-(4-chlorobenzoyl)-4-hydroxycyclopentane-1-carboxylic acid, (3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid, FORMIC ACID, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Canesso, R, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7G08
 | | Crystal Structure of human FABP4 in complex with 2-(3-chloro-2-methylanilino)benzoic acid, i.e. SMILES c1(c(cccc1)C(=O)O)Nc1c(c(ccc1)Cl)C with IC50=0.482076 microM | | Descriptor: | 2-[(3-chloro-2-methylphenyl)amino]benzoic acid, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Boehringer, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FXC
 | | Crystal Structure of human FABP4 in complex with 6-[(3,4-dichlorophenyl)methyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazin-3-one, i.e. SMILES N1(Cc2cc(c(cc2)Cl)Cl)S(=O)(=O)NC(=O)C=C1C with IC50=0.945 microM | | Descriptor: | (5S)-6-[(3,4-dichlorophenyl)methyl]-5-methyl-1lambda~6~,2,6-thiadiazinane-1,1,3-trione, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Albrecht-Harry, A, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FY0
 | | Crystal Structure of human FABP5 in complex with (2R)-1-[(3,5-dichloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid, i.e. SMILES c1(cc(cc(c1c1ccccc1)Cl)Cl)NC(=O)N1CCC[C@@H]1C(=O)O with IC50=18 microM | | Descriptor: | 1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline, DIMETHYL SULFOXIDE, Fatty acid-binding protein 5, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Obst-Sander, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structure of a human FABP5 complex
To be published
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7FZP
 | | Crystal Structure of human FABP4 in complex with 6-[(4-chlorophenyl)methylsulfanylmethyl]-2-sulfanylidene-1H-pyrimidin-4-one, i.e. SMILES c1c(ccc(c1)Cl)CSCC1=CC(=O)NC(=S)N1 with IC50=0.890 microM | | Descriptor: | 6-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Wichmann, J, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FX1
 | | Crystal Structure of human FABP4 in complex with 2-(3-phenyl-4-piperidin-1-ylphenyl)acetic acid, i.e. SMILES c1(c(N2CCCCC2)ccc(c1)CC(=O)O)c1ccccc1 with IC50=0.252291 microM | | Descriptor: | Fatty acid-binding protein, adipocyte, SULFATE ION, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Pfister, R, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FWA
 | | 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 | | Descriptor: | (8S)-5-[(4-chloroanilino)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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7FWF
 | | 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 | | Descriptor: | 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
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7G1R
 | | Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1(=C(C=CS1)C(=O)OCC)NC(=O)C1=C(C(=O)O)CCC1 with IC50=1.4 microM | | Descriptor: | 2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Crystal Structure of a human FABP4 complex
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