LiteFold/PDB huggingface dataset:
PDB entry 7fwv: Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 6-cyclopentyl-N,5-dimethyl-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine, i.e. SMILES c1(c(nc(c(c1c1ccccc1)C1=NN=NN1)N(C(C)C)C)C1CCCC1)C with IC50=0.0609504 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.45 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kuhne, H., Rudolph, M.G.
PDB entry 7fww: Crystal Structure of human FABP4 in complex with (3-bromophenyl)-[(2Z)-2-phenylimino-1,3-thiazepan-3-yl]methanone
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fwx: Crystal Structure of human FABP4 binding site mutated to that of FABP5
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.13 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fwy: Crystal Structure of human FABP4 in complex with 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]acetic acid, i.e. SMILES c12c(Sc3c(C[C@H]1SCC(=O)O)cc(cc3)Cl)cccc2 with IC50=1.7 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Boehringer, M., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fx0: Crystal Structure of human FABP4 in complex with 5-[(2-chloroanilino)methyl]-4-ethyl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1CNc1c(Cl)cccc1)S)CC with IC50=0.705 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.03 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.99 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Pfister, R., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.47 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fx3: Crystal Structure of apo human FABP4, tetragonal form
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fx4: Crystal Structure of human FABP4 in complex with rac-(1R,2S)-2-[(3,4-dichlorophenoxy)methyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@H]([C@H](C1)C(=O)O)COc1cc(c(cc1)Cl)Cl with IC50=3.73482 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.02 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Buettelmann, B., Rudolph, M.G.
PDB entry 7fx5: Crystal Structure of human FABP4 in complex with 5-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-4-carboxylic acid, i.e. SMILES C1C(CC2=C(C1)C(=C(S2)NC(=O)C1=C(CCOC1)C(=O)O)C1=NC(=NO1)C1CC1)(F)F with IC50=0.182863 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fx6: Crystal Structure of human FABP4 in complex with N,N-diethyl-4-pyridin-4-yl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-amine, i.e. SMILES n1c(c(c(c2c1CCCCC2)c1ccncc1)C1=NN=NN1)N(CC)CC with IC50=0.0281951 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Lubbers, T., Rudolph, M.G.
PDB entry 7fx8: Crystal Structure of human FABP4 in complex with 4-(2-methylpropyl)-2-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, i.e. SMILES c1(c2c(C3=NN=NN3)c(CC(C)C)c3c(n2)CCCCC3)ccccc1 with IC50=0.0809837 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fx9: Crystal Structure of human FABP4 in complex with 2-(3-cyanoanilino)benzoic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.1 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Diratsouian, J., Rudolph, M.G.
PDB entry 7fxa: Crystal Structure of human FABP4 in complex with 6-bromo-4-hexyl-2-oxo-1,3-dihydroquinoline-4-carboxylic acid, i.e. SMILES [C@]1(c2c(NC(=O)C1)ccc(c2)Br)(CCCCCC)C(=O)O with IC50=1.2 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Hofheinz, W., Rudolph, M.G.
PDB entry 7fxb: Crystal Structure of human FABP4 in complex with 2-methyl-2-(2,3,4,5,6-pentachlorophenoxy)propanoic acid, i.e. SMILES C(C(=O)O)(Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(C)C with IC50=0.087 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Wain, R., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Albrecht-Harry, A., Rudolph, M.G.
PDB entry 7fxd: 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.44 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ning, R., Rudolph, M.G.
PDB entry 7fxe: Crystal Structure of human FABP4 in complex with 2-(9-benzyl-6-methyl-1,2,3,4-tetrahydrocarbazol-1-yl)acetic acid, i.e. SMILES C12=C(c3c(N1Cc1ccccc1)ccc(c3)C)CCC[C@H]2CC(=O)O with IC50=3.60776 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.04 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., ROCHE, N., Rudolph, M.G.
PDB entry 7fxf: Crystal Structure of human FABP4 in complex with 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.95 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fxg: Crystal Structure of human FABP4 in complex with 2-chloro-4,6-bis(trifluoromethylsulfanyl)phenol, i.e. SMILES C(Sc1c(c(cc(c1)SC(F)(F)F)Cl)O)(F)(F)F with IC50=0.086 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Steudler, Y., Rudolph, M.G.
PDB entry 7fxh: Crystal Structure of human FABP4 in complex with 2-[(2R)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, i.e. SMILES c1(c(c(c2c(n1)CCCCC2)c1ccccc1)C1=NN=NN1)[C@H]1CCCO1 with IC50=0.0496937 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.02 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.51 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fxj: Crystal Structure of human FABP4 in complex with 1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-2H-pyrrol-5-one
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.03 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fxk: Crystal Structure of human FABP4 in complex with 5-benzyl-4-(2,5-dimethylpyrrol-1-yl)-1,2,4-triazole-3-thiol, i.e. SMILES N1(N2C(=CC=C2C)C)C(=NN=C1S)Cc1ccccc1 with IC50=0.462 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.03 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kumagai, Y., Rudolph, M.G.
PDB entry 7fxl: Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with myristic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fxm: Crystal Structure of human FABP4 in complex with 5-cyclohexyl-2-hydroxybenzoic acid, i.e. SMILES c1(C2CCCCC2)cc(c(cc1)O)C(=O)O with IC50=0.667 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.19 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Urban, R., Rudolph, M.G.
PDB entry 7fxn: Crystal Structure of human FABP4 in complex with 2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, i.e. SMILES c1(c(c(c2c(n1)CCCCC2)c1ccccc1)C1=NN=NN1)[C@@H]1CCCO1 with IC50=0.0357232 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.02 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fxo: Crystal Structure of apo human FABP1 monoclinic form III
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.3 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fxp: Crystal Structure of human FABP4 in complex with (Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid, i.e. SMILES c1(c(cc(cc1)Br)Cl)NC(=O)/C=CC(=O)O with IC50=3.4 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Diratsouian, J., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Unknown, N., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.99 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Chen, J., Rudolph, M.G.
PDB entry 7fxs: Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-phenoxy-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)Oc1ccccc1 with IC50=2.33933 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.25 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fxt: Crystal Structure of human FABP4 in complex with N-(2,1,3-benzothiadiazol-4-yl)-2,5-dichlorothiophene-3-sulfonamide, i.e. SMILES c12=NSN=c2cccc1NS(=O)(=O)C1=C(SC(=C1)Cl)Cl with IC50=0.255 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.07 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kumagai, Y., Rudolph, M.G.
PDB entry 7fxu: Crystal Structure of human FABP4 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1(=C(C)C(=C(S1)NC(=O)C1=C(CCC1)C(=O)O)C1=NC(=NO1)C1CC1)C with IC50=0.00967858 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.96 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fxv: Crystal Structure of human FABP4 in complex with 6-[(4-methoxyphenyl)methyl]-2H-1,2,4-triazine-3,5-dithione
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.88 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Koch, W., Rudolph, M.G.
PDB entry 7fxw: Crystal Structure of human FABP4 in complex with 5,6-dichloro-3-(2-chlorophenyl)-1H-indole-2-carboxylic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.18 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fxx: Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 6-cyclopentyl-N,5-dimethyl-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine, i.e. SMILES c1(c(nc(c(c1c1ccccc1)C1=NN=NN1)N(C(C)C)C)C1CCCC1)C with IC50=0.171959 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.29 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kuhne, H., Rudolph, M.G.
PDB entry 7fxy: Crystal Structure of human FABP4 in complex with (4-chlorophenyl)methyl 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylate, i.e. SMILES C1(=C(C(=O)NC(=O)N1)F)C(=O)OCc1ccc(cc1)Cl with IC50=1.9 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.13 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kiss, J., Rudolph, M.G.
PDB entry 7fxz: Crystal Structure of human FABP4 in complex with 4-hexylsulfanyl-1-(3-pyridylmethyl)-6-sulfanyl-1,3,5-triazin-2-one
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.03 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.34 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fy1: Crystal Structure of apo human FABP9
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.01 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Zeller, M., Rudolph, M.G.
PDB entry 7fy3: Crystal Structure of human FABP4 in complex with sulfate
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fy4: Crystal Structure of human FABP4 binding site mutated to that of FABP5 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=0.0608835 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.51 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Buettelmann, B., Rudolph, M.G.
PDB entry 7fy5: Crystal Structure of human FABP4 in complex with 2,5,5-trimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid, i.e. SMILES c12c(cc(c(c1)C(=O)O)C)CCCCC2(C)C with IC50=2.9 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Mohr, P., Rudolph, M.G.
PDB entry 7fy6: Crystal Structure of human FABP4 in complex with 6-phenyl-11H-pyrimido[4,5-c][2]benzazepin-3-amine, i.e. SMILES C1(=Nc2c(Cc3c1cccc3)cnc(n2)N)c1ccccc1 with IC50=1.4 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Fryer, R., Rudolph, M.G.
PDB entry 7fy7: Crystal Structure of human FABP4 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=26.3725 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ning, R., Rudolph, M.G.
PDB entry 7fy8: Crystal Structure of human FABP1 in complex with 2-[[4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.23 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fy9: Crystal Structure of human FABP4 binding site mutated to that of FABP5 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=0.14164 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.74 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kuhne, H., Rudolph, M.G.
PDB entry 7fya: Crystal Structure of apo human FABP1 - orthorhombic form
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.88 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Buettelmann, B., Rudolph, M.G.
PDB entry 7fyc: Crystal Structure of human FABP4 in complex with (2R)-1-[(2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid, i.e. SMILES C1[C@@H](N(CC1)C(=O)Nc1ccccc1c1ccccc1)C(=O)O with IC50=0.466 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.08 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fyd: Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid, i.e. SMILES c1(ccc2c(c1)c(c1ccccc1)c(c(n2)C(C)C)C(=O)O)Cl with IC50=2.6 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.45 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ceccarelli-Simona, M., Rudolph, M.G.
PDB entry 7fye: Crystal Structure of human FABP4 in complex with 1-[(4-chlorophenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES C1(=CC(=O)N(C=C1)Cc1ccc(cc1)Cl)O with IC50=7.8 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.25 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fyf: Crystal Structure of human FABP4 in complex with 4-(4-fluorophenyl)-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine, i.e. SMILES c1(ccc(cc1)F)c1c(c(N2CCCCC2)nc2c1COCC2)C1=NN=NN1 with IC50=0.42193 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.02 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fyg: Crystal Structure of human FABP4 in complex with 6-benzyl-2H-1,2,4-triazine-3,5-dithione
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.94 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Koch, W., Rudolph, M.G.
PDB entry 7fyh: Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 6-fluoro-1,3-benzothiazol-2-amine
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.34 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Winternitz, P., Rudolph, M.G.
PDB entry 7fyi: Crystal Structure of human FABP4 in complex with 5-[(4-chlorophenyl)sulfanylmethyl]-2-methylpyrazol-3-ol, i.e. SMILES C1(=CC(=NN1C)CSc1ccc(cc1)Cl)O with IC50=17 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.14 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kumagai, Y., Rudolph, M.G.
PDB entry 7fyj: Crystal Structure of human FABP4 in complex with 5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES c1(cccc(c1C)Cl)OCC1=CC(=O)N2N=C(c3ccccc3)N=C2N1 with IC50=0.061 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.6 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ceccarelli-Simona, M., Rudolph, M.G.
PDB entry 7fyk: Crystal Structure of human FABP4 in complex with 5-phenylmethoxy-4-prop-2-enyl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1S)OCc1ccccc1)CC=C with IC50=1.3 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fyl: Crystal Structure of human FABP4 in complex with 6-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)sulfanylhexanoic acid, i.e. SMILES c1(S[C@@H](CCCCSc2ccc(cc2)Cl)C(=O)O)ccc(cc1)C with IC50=0.25724 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.07 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Boehringer, M., Rudolph, M.G.
PDB entry 7fym: Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid, i.e. SMILES c1(C(=O)CC(CC(=O)O)(C)C)cc(c(cc1)C)Br with IC50=5.1 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.21 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Mohr, P., Rudolph, M.G.
PDB entry 7fyo: Crystal Structure of human FABP4 in complex with 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic acid, i.e. SMILES C(=O)(Nc1cc(cc(c1)Cl)Cl)CC(CC(=O)O)(C)C with IC50=4.4 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fyp: Crystal Structure of human FABP4 in complex with (1S,2S)-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylcyclopropane-1-carboxylic acid, i.e. SMILES [C@H]1([C@H](C1)C(=O)O)C(=O)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C with IC50=2.6 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Woltering, T., Rudolph, M.G.
PDB entry 7fyq: Crystal Structure of human FABP4 in complex with 2-(3,5-ditert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid, i.e. SMILES [C@@](c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O)(C(F)(F)F)(C(=O)O)O with IC50=0.202 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Masciadri, R., Rudolph, M.G.
PDB entry 7fyr: Crystal Structure of human FABP4 in complex with 5-(3,4-dichlorophenyl)-5-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione, i.e. SMILES C1(c2cc(c(cc2)Cl)Cl)(C(=O)NC(=S)NC1=O)C with IC50=3.3 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Borgulya, J., Rudolph, M.G.
PDB entry 7fys: Crystal Structure of human FABP4 in complex with 7-(4-methoxyphenyl)-1,8-dithia-3-azaspiro[4.5]dec-6-ene-2,4-dione, i.e. SMILES [C@@]12(C=C(c3ccc(cc3)OC)SCC2)SC(=O)NC1=O with IC50=4.5 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Widmer, U., Rudolph, M.G.
PDB entry 7fyt: Crystal Structure of human FABP4 in complex with 5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES c1(cccc(c1C)Cl)OCC1=CC(=O)N2N=C(c3ccccc3)N=C2N1 with IC50=0.061 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.24 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ceccarelli-Simona, M., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.17 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Buettelmann, B., Rudolph, M.G.
PDB entry 7fyv: Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-9-methyl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene-8-carboxylic acid, i.e. SMILES [C@H]12[C@H]3[C@@H]([C@@H]([C@@H]([C@H]1ON=C2c1ccc(cc1)Cl)C3)C)C(=O)O with IC50=5.6 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.97 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Wickens, J., Rudolph, M.G.
PDB entry 7fyw: Crystal Structure of apo mouse FABP5, twinned in P21 with beta=90deg
Classification: LIPID BINDING PROTEIN
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.81 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fyx: Crystal Structure of human FABP4 in complex with 2-[(3-phenylthiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES S1C(=C(C=C1)c1ccccc1)NC(=O)C1=C(CCC1)C(=O)O with IC50=0.201 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.4 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ceccarelli-Simona, M., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Steudler, Y., Rudolph, M.G.
PDB entry 7fyz: Crystal Structure of human FABP4 in complex with 2-[2,3-bis[(2-chlorophenyl)methoxy]phenyl]-2-methoxyacetic acid, i.e. SMILES c1c(c(c(cc1)OCc1ccccc1Cl)OCc1c(cccc1)Cl)[C@@H](C(=O)O)OC with IC50=1.1 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.13 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fz0: Crystal Structure of human FABP4 in complex with 2-tert-butyl-6-ethyl-4,5-diphenyl-3-(1H-tetrazol-5-yl)pyridine, i.e. SMILES N1C(=NN=N1)c1c(nc(c(c1c1ccccc1)c1ccccc1)CC)C(C)(C)C with IC50=0.0259709 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.02 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Buettelmann, B., Rudolph, M.G.
PDB entry 7fz1: Crystal Structure of human FABP4 in complex with 3-[(E)-anilino-(2-oxo-1H-indol-3-ylidene)methyl]sulfanylpropanoic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.99 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Mischke, S., Rudolph, M.G.
PDB entry 7fz2: Crystal Structure of human FABP4 in complex with [3-oxo-5-[4-(trifluoromethyl)phenyl]cyclohexen-1-yl] acetate, i.e. SMILES [C@H]1(c2ccc(cc2)C(F)(F)F)CC(=CC(=O)C1)OC(=O)C with IC50=0.833 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kumagai, Y., Rudolph, M.G.
PDB entry 7fz3: Crystal Structure of human FABP4 in complex with 4-(4-chlorophenoxy)benzenesulfinic acid:sodium hydride, i.e. SMILES c1(Oc2ccc(cc2)Cl)ccc(cc1)[S@@](=O)O with IC50=7.4 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.1 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fz4: Crystal Structure of human FABP4 in complex with 6-(difluoromethyl)-4-isobutyl-5-methoxycarbonyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.01 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fz5: Crystal Structure of human FABP4 in complex with rac-(2R)-1-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]pyrrolidine-2-carboxylic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.25 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Neidhart, W., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.09 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Buettelmann, B., Rudolph, M.G.
PDB entry 7fz7: Crystal Structure of human FABP4 in complex with 2-[2-[(2-chlorophenyl)methyl]-1-hydroxycyclohexyl]acetic acid, i.e. SMILES [C@]1([C@@H](Cc2c(cccc2)Cl)CCCC1)(CC(=O)O)O with IC50=1.7 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Dostert, P., Rudolph, M.G.
PDB entry 7fz8: Crystal Structure of human FABP4 in complex with thieno[2,3-d]pyrimidine-2,4-diamine
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.22 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Canesso, R., Rudolph, M.G.
PDB entry 7fz9: Crystal Structure of human FABP4 in complex with N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-propan-2-yl-3-(1H-tetrazol-5-yl)pyridin-2-amine, i.e. SMILES c1c(nc(c(c1c1ccccc1)C1=NN=NN1)N(C(C)C)C)C1=C(C=CS1)C with IC50=0.0624135 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.96 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kuhne, H., Rudolph, M.G.
PDB entry 7fza: Crystal Structure of apo human FABP4, cubic form
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.601 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fzb: Crystal Structure of human FABP4 in complex with 2-[5-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-4-yl]acetic acid, i.e. SMILES C1(=NC(=C(O1)C)CC(=O)O)C1(CCCCC1)C with IC50=2.9 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.08 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Fischer, U., Rudolph, M.G.
PDB entry 7fzc: Crystal Structure of human FABP4 in complex with 5-[(2-chlorophenoxy)methyl]-4-propan-2-yl-1,2,4-triazole-3-thiol, i.e. SMILES N1(C(=NN=C1COc1c(Cl)cccc1)S)C(C)C with IC50=0.249 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.02 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Canesso, R., Rudolph, M.G.
PDB entry 7fze: ammonium sulfate-based apo human FABP4, primitive orthorhombic form I
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.17 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fzf: Crystal Structure of human FABP4 in complex with 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanoic acid, i.e. SMILES C12=C(N=CN(C1=O)[C@@H](C(=O)O)CC)SC(=C2c1ccccc1)C with IC50=7.52669 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.09 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fzg: Crystal Structure of apo mouse FABP4, C-centered orthorhombic form
Classification: LIPID BINDING PROTEIN
Source organism: Mus musculus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.49 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fzh: Crystal Structure of human FABP4 in complex with 4-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-5,7-dihydro-4H-1-benzothiophen-2-yl]carbamoyl]-3,6-dihydro-2H-pyran-5-carboxylic acid, i.e. SMILES C1C(CC2=C(C1)C(=C(S2)NC(=O)C1=C(COCC1)C(=O)O)C1=NC(=NO1)C1CC1)(F)F with IC50=0.044978 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fzi: Crystal Structure of human FABP4 in complex with 2-[[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES N(c1ccccc1C1=NC(=NO1)C1CC1)C(=O)C1=C(CCC1)C(=O)O with IC50=0.0623077 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.07 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fzj: Crystal Structure of human FABP4 in complex with 3-cyclohexyl-2-ethylsulfanyl-6-hydroxypyrimidin-4-one
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.25 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Jin, M., Rudolph, M.G.
PDB entry 7fzk: Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with myristate
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fzl: Crystal Structure of human FABP4 in complex with 3-(3-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, i.e. SMILES N1(C(=NNC1=S)c1cc(Cl)ccc1)CC=C with IC50=1.4 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fzm: Crystal Structure of human FABP4 in complex with N-(2,4-dichlorophenyl)-2-(2,6-dihydroxypyrimidin-4-yl)acetamide, i.e. SMILES n1c(cc(nc1O)CC(=O)Nc1c(cc(cc1)Cl)Cl)O with IC50=15 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.05 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Obst-Sander, U., Rudolph, M.G.
PDB entry 7fzn: Crystal Structure of human FABP4 in complex with (1S,2S,5R)-3-(2-thiophen-3-ylacetyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid, i.e. SMILES OC(=O)[C@@H]1[C@H]2C[C@H]2CN1C(=O)Cc3ccsc3 with IC50=1.7 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fzo: Crystal Structure of human FABP4 in complex with 4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, i.e. SMILES [C@H]12[C@@]3(O[C@H]([C@H]2C(=O)O)C=C3)CN(C1=O)CCc1ccccc1 with IC50=3.5 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.99 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Wichmann, J., Rudolph, M.G.
PDB entry 7fzq: Crystal Structure of human FABP3 in complex with myristate
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.597 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fzr: Crystal Structure of human FABP4 in complex with 4-hydroxy-6-(2-naphthalen-1-ylethyl)pyran-2-one, i.e. SMILES c1ccc2c(c1)c(ccc2)CCC1=CC(=CC(=O)O1)O with IC50=0.183 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Maurer, M., Rudolph, M.G.
PDB entry 7fzs: Crystal Structure of human FABP4 in complex with 6-chloro-4-[(2-chlorophenyl)methyl]-2-methylquinoline-3-carboxylic acid, i.e. SMILES c1(ccc2c(c1)c(c(c(n2)C)C(=O)O)Cc1c(cccc1)Cl)Cl with IC50=0.105 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.04 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Conte, A., Rudolph, M.G.
PDB entry 7fzt: Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2S)-2-[(3,4-dichlorobenzoyl)amino]cyclohexane-1-carboxylic acid, i.e. SMILES C1CC[C@@H]([C@@H](C1)C(=O)O)NC(=O)c1cc(c(cc1)Cl)Cl with IC50=15.8182 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.4 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Buettelmann, B., Rudolph, M.G.
PDB entry 7fzu: Crystal Structure of human FABP4 binding site mutated to that of 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.25 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ning, R., Rudolph, M.G.
PDB entry 7fzv: Crystal Structure of human FABP4 in complex with 1-[(2,4-dichlorophenyl)methyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]pyridin-2-one, i.e. SMILES C1(=C(C=CN(C1=O)Cc1c(cc(cc1)Cl)Cl)O)C/C=C/c1ccccc1 with IC50=0.557 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.55 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Brunner, M., Rudolph, M.G.
PDB entry 7fzw: Crystal Structure of human FABP4 in complex with 2-[[5-bromo-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1(=C(CCC1)C(=O)O)C(=O)Nc1cc(ccc1C1=NC(=NO1)C1CC1)Br with IC50=0.333165 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.24 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Richter, H., Rudolph, M.G.
PDB entry 7fzx: Crystal Structure of human FABP4 in complex with (2S)-6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic acid, i.e. SMILES c1(O[C@@H](CCCCOc2ccc(cc2)Cl)C(=O)O)ccc(cc1)C with IC50=0.585 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.07 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7fzy: Crystal Structure of human FABP4 in complex with 6-chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)quinoline, i.e. SMILES c1(ccc2c(c1)c(c(c(n2)N1CCCCC1)C1=NN=NN1)c1ccccc1)Cl with IC50=0.0201184 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.17 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Kuhne, H., Rudolph, M.G.
PDB entry 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.12 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7g00: Crystal Structure of human FABP1 in complex with 2-[[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.6 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Neidhart, W., Rudolph, M.G.
PDB entry 7g01: Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid, i.e. SMILES n1c(c(c(c2c1ccc(c2)Cl)c1ccccc1)C(=O)O)N1CCCCC1 with IC50=1.1 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.17 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ceccarelli-Simona, M., Rudolph, M.G.
PDB entry 7g02: Crystal Structure of human FABP4 in complex with 7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid, i.e. SMILES c1(c2c(ccc1C(=O)O)ccc(c2)OC)c1cc(ccc1)OC with IC50=0.045 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.03 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Guthrie-Robert, W., Rudolph, M.G.
PDB entry 7g03: Crystal Structure of human FABP4 in complex with 6-fluoro-1,3-benzothiazol-2-amine
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.27 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Winternitz, P., Rudolph, M.G.
PDB entry 7g04: Crystal Structure of human FABP5 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
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.4 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Canesso, R., Rudolph, M.G.
PDB entry 7g05: Crystal Structure of human FABP4 in complex with 2,6-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol, i.e. SMILES C(C(F)(F)F)(C(F)(F)F)(c1cc(c(c(c1)Cl)O)Cl)O with IC50=12 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 0.95 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Rudolph, M.G.
PDB entry 7g06: Crystal Structure of human FABP4 in complex with 5-(chloromethyl)-2-phenyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, i.e. SMILES c1cccc(c1)C1=NN2C(=N1)NC(=CC2=O)CCl with IC50=28 microM
Classification: LIPID BINDING PROTEIN
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.26 Å
Deposited: 2023-04-27
Authors: Ehler, A., Benz, J., Obst, U., Ceccarelli-Simona, M., Rudolph, M.G.