7FXR
 
 | | Crystal Structure of human FABP4 in complex with 2-[rac-(9R,10S)-10-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-yl]acetic acid, i.e. SMILES C12(C[C@H]([C@@H](CC1)CC(=O)O)Cc1ccccc1)OCC(CO2)(C)C with IC50=0.106 microM | | Descriptor: | FORMIC ACID, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Chen, J, 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
|
|
7G0U
 | | Crystal Structure of human FABP4 in complex with 5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-morpholin-4-ylpyrimidin-2-one, i.e. SMILES N1=C(C(=C(N(C1=O)C)O)Cc1cc(Cl)ccc1)N1CCOCC1 with IC50=1.5 microM | | Descriptor: | 5-[(3-chlorophenyl)methyl]-6-hydroxy-1-methyl-4-(morpholin-4-yl)pyrimidin-2(1H)-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 (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
7FWS
 | | Crystal Structure of human FABP4 covalently modified with 1,2-benzothiazol-3-one | | Descriptor: | 2-sulfanylbenzamide, 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: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
7FYY
 | | Crystal Structure of human FABP4 in complex with 5,7-bis(trifluoromethylsulfanyl)quinolin-8-ol, i.e. SMILES c1(c2c(c(c(c1)SC(F)(F)F)O)nccc2)SC(F)(F)F with IC50=0.047 microM | | Descriptor: | 5,7-bis[(trifluoromethyl)sulfanyl]quinolin-8-ol, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Steudler, Y, 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
|
|
7G1Z
 | | Crystal Structure of human FABP4 in complex with 5-[(4-chloro-3-phenoxyphenyl)methyl]-1H-tetrazole, i.e. SMILES N1N=NN=C1Cc1cc(c(cc1)Cl)Oc1ccccc1 with IC50=0.291 microM | | Descriptor: | 5-[(4-methyl-3-phenoxyphenyl)methyl]-1H-tetrazole, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Sweeney, Z, 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
|
|
7G1P
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 6-chloro-5-fluoro-1H-benzimidazole | | Descriptor: | 6-chloro-5-fluoro-1H-benzimidazole, 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 (1.28 Å) | | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
|
|
7G0S
 | | Crystal Structure of human FABP4 in complex with 2,3-bis(phenylmethoxy)benzoic acid, i.e. SMILES c1(c(OCc2ccccc2)cccc1C(=O)O)OCc1ccccc1 with IC50=0.340 microM | | Descriptor: | 2,3-bis(benzyloxy)benzoic acid, Fatty acid-binding protein, adipocyte, ... | | 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
|
|
7FWN
 | | Crystal Structure of human FABP4 in complex with 3-(5-methyl-2,3-diphenylindol-1-yl)propanoic acid, i.e. SMILES N1(C(=C(c2c1ccc(c2)C)c1ccccc1)c1ccccc1)CCC(=O)O with IC50=0.038 microM | | Descriptor: | 3-(5-methyl-2,3-diphenyl-1H-indol-1-yl)propanoic acid, 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: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
7FXL
 | |
7FXQ
 | | Crystal Structure of human FABP4 in complex with 2-(5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)acetic acid, i.e. SMILES c12c(ccc(c1)CC(=O)O)CCCCCC2 with IC50=0.725 microM | | Descriptor: | (5,6,7,8,9,10-hexahydrobenzo[8]annulen-2-yl)acetic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Unknown, N, 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
|
|
7FZA
 | | Crystal Structure of apo human FABP4, cubic form | | Descriptor: | CHLORIDE ION, 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: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Crystal Structure of apo human FABP4
To be published
|
|
7FZ4
 | | Crystal Structure of human FABP4 in complex with 6-(difluoromethyl)-4-isobutyl-5-methoxycarbonyl-2-(trifluoromethyl)pyridine-3-carboxylic acid | | Descriptor: | 6-(difluoromethyl)-5-(methoxycarbonyl)-4-(2-methylpropyl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 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 (1.01 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
7FZE
 | | ammonium sulfate-based apo human FABP4, primitive orthorhombic form I | | Descriptor: | Fatty acid-binding protein, adipocyte, SULFATE ION | | 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 (1.17 Å) | | Cite: | Crystal Structure of human apo FABP4
To be published
|
|
7G0R
 | | Crystal Structure of human FABP4 in complex with 4-methoxy-1,2-benzoxazol-3-amine | | Descriptor: | 4-methoxy-1,2-benzoxazol-3-amine, BENZAMIDE, DIMETHYL SULFOXIDE, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Fry, D, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
7FZZ
 | | Crystal Structure of human FABP4 in complex with 3-[(2,4-dichloro-5-methylphenyl)sulfonylamino]thiophene-2-carboxamide, i.e. SMILES C1(=C(SC=C1)C(=O)N)NS(=O)(=O)c1c(cc(c(c1)C)Cl)Cl with IC50=0.199 microM | | Descriptor: | 3-[(2,4-dichloro-5-methylbenzene-1-sulfonyl)amino]thiophene-2-carboxamide, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, 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
|
|
7G13
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 4-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-5-carboxylic acid, i.e. SMILES S1C(=C(C2=NC(=NO2)C2CC2)C2=C1CCCC2)NC(=O)C1=C(COCC1)C(=O)O with IC50=0.119472 microM | | Descriptor: | 4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-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 (1.15 Å) | | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
|
|
7FW7
 | | 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 | | Descriptor: | (1S,2S)-2-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte, ... | | 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 (1.06 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
7G1U
 | | Crystal Structure of human FABP4 in complex with 2-[[5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES N(c1cc(ccc1C1=NC(=NO1)C)Cl)C(=O)C1=C(CCC1)C(=O)O with IC50=0.195 microM | | Descriptor: | 2-{[(2M)-5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl}cyclopent-1-ene-1-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 (1.14 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
7FWX
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 | | Descriptor: | (4E)-6-(5-methoxy-3,6,7-trimethyl-1,2-benzoxazol-4-yl)-4-methylhex-4-enoic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 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 (1.13 Å) | | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
|
|
7FXO
 | | Crystal Structure of apo human FABP1 monoclinic form III | | Descriptor: | BENZAMIDINE, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 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 (1.3 Å) | | Cite: | Crystal Structure of a human FABP1 complex
To be published
|
|
7FWZ
 | | Crystal Structure of human FABP4 in complex with 4-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-1-yl]butanoic acid, i.e. SMILES C1(=NN(C2=C1CCCCC2)CCCC(=O)O)C(F)(F)F with IC50=0.109 microM | | Descriptor: | 4-[3-(trifluoromethyl)-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-1(4H)-yl]butanoic acid, 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 (1.12 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
7FX7
 | | Crystal Structure of human FABP4 with binding site mutated to FABP5 in complex with 5-methylsulfanyl-2-[(4-phenylmethoxy-1H-indazol-3-yl)methylsulfanyl]pyrimidin-4-ol, i.e. SMILES n1c(c(cnc1SCC1=NNc2c1c(OCc1ccccc1)ccc2)SC)O with IC50=0.372 microM | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(benzyloxy)-1H-indazol-3-yl]methyl}sulfanyl)-5-(methylsulfanyl)pyrimidin-4-ol, DIMETHYL SULFOXIDE, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Lubbers, T, 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
|
|
7FY2
 | | Crystal Structure of human FABP4 in complex with 2-chloro-5-pyrrol-1-ylbenzoic acid, i.e. SMILES c1(N2C=CC=C2)cc(c(cc1)Cl)C(=O)O with IC50=14.4586 microM | | Descriptor: | 2-chloro-5-(1H-pyrrol-1-yl)benzoic acid, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Zeller, M, 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
|
|
7G1T
 | | Crystal Structure of human FABP4 in complex with 6-methyl-3-phenyl-1,2,4-triazin-5-ol | | Descriptor: | 6-methyl-3-phenyl-1,2,4-triazin-5-ol, Fatty acid-binding protein, adipocyte, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Brunner, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
|
|
7FWM
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 1-[(4-chloro-2-phenylphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES C1(=CC(=O)N(C=C1)Cc1ccc(cc1c1ccccc1)Cl)O with IC50=2.3 microM | | Descriptor: | 1-[(5-chloro[1,1'-biphenyl]-2-yl)methyl]-4-hydroxy-5,6-dihydropyridin-2(1H)-one, DIMETHYL SULFOXIDE, 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 (1.17 Å) | | Cite: | Crystal Structure of a human FABP4 binding site mutated to that of FABP3 complex
To be published
|
|
