7G0H
 
 | | Crystal Structure of human FABP4 in complex with (2R,3R)-2-(phenoxymethyl)-1-phenyl-pyrrolidine-3-carboxylic acid, i.e. SMILES C1C[C@H]([C@@H](N1c1ccccc1)COc1ccccc1)C(=O)O with IC50=0.168 microM | | 分子名称: | (2R,3S)-2-(phenoxymethyl)-1-phenylpyrrolidine-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 (1.46 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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6Q9T
 | | Protein-aromatic foldamer complex crystal structure | | 分子名称: | Aromatic foldamer, Carbonic anhydrase 2, ZINC ION | | 著者 | Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. | | 登録日 | 2018-12-18 | | 公開日 | 2019-09-18 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas.
Chemistry, 25, 2019
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7G0O
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid, i.e. SMILES C1(=C(CCCC1)C(=O)NC1=C(C(=C(C)S1)C)C1=NC(=NO1)C1CC1)C(=O)O with IC50=0.0950978 microM | | 分子名称: | 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-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 (1.32 Å) | | 主引用文献 | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
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7G14
 | | Crystal Structure of human FABP4 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=0.014086 microM | | 分子名称: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 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 (1.2 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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1QSV
 | | THE VEGF-BINDING DOMAIN OF FLT-1, 20 NMR STRUCTURES | | 分子名称: | VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1 | | 著者 | Starovasnik, M.A, Christinger, H.W, Wiesmann, C, Champe, M.A, de Vos, A.M, Skelton, N.J. | | 登録日 | 1999-06-23 | | 公開日 | 1999-11-10 | | 最終更新日 | 2024-11-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the VEGF-binding domain of Flt-1: comparison of its free and bound states.
J.Mol.Biol., 293, 1999
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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 | | 分子名称: | 4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Maurer, 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
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3KEH
 | | Crystal Structure of N370S Glucocerebrosidase mutant at pH 7.4 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 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 | Wei, R.R, Boucher, S, Pan, C.Q, Edmunds, T. | | 登録日 | 2009-10-26 | | 公開日 | 2010-10-27 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of Glucocerebrosidase Containing the N370S mutation: Implication on Chaperon Therapy
To be Published
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7G0G
 | | Crystal Structure of human FABP4 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 | | 分子名称: | 5-(3-bromo-4-methylphenyl)-3,3-dimethyl-5-oxopentanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Mohr, P, 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
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7G0J
 | | Crystal Structure of human FABP4 in complex with 2-[3-(4-chloro-2-phenoxyphenyl)phenyl]acetic acid, i.e. SMILES c1c(cc(cc1)c1c(cc(cc1)Cl)Oc1ccccc1)CC(=O)O with IC50=0.095 microM | | 分子名称: | Fatty acid-binding protein, adipocyte, SULFATE ION, ... | | 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 (1.08 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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7G0P
 | | Crystal Structure of human FABP4 in complex with 3-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid, i.e. SMILES N1(c2ccccc2)C(=S)SC(=N1)SCCCS(=O)(=O)O with IC50=5.6 microM | | 分子名称: | 1,2-ETHANEDIOL, 3-[(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1-sulfonic acid, FORMIC ACID, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Kumagai, Y, 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 (1.02 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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3KFG
 | | Major mouse urinary protein IV complexed with 2-heptanone | | 分子名称: | (2S)-2-ethylhexan-1-ol, CHLORIDE ION, Major urinary protein 4, ... | | 著者 | Perez-Miller, S, Zou, Q, Hurley, T.D. | | 登録日 | 2009-10-27 | | 公開日 | 2010-06-16 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
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7G1S
 | | Crystal Structure of human FABP4 in complex with 3-(3,4-dichlorophenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione | | 分子名称: | (3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Zeller, P, 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
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1QVN
 | | Structure of SP4160 Bound to IL-2 V69A | | 分子名称: | 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE, Interleukin-2, ZINC ION | | 著者 | Thanos, C.D, Delano, W.L, Wells, J.A. | | 登録日 | 2003-08-28 | | 公開日 | 2005-04-05 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Hot-spot mimicry of a cytokine receptor by a small molecule.
Proc.Natl.Acad.Sci.USA, 103, 2006
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7G21
 | | Crystal Structure of human FABP4 in complex with 4-hydroxy-2-[(E)-2-(2-phenylcyclohexyl)ethenyl]-2,3-dihydropyran-6-one, i.e. SMILES [C@H]1([C@@H](/C=C/[C@H]2CC(=CC(=O)O2)O)CCCC1)c1ccccc1 with IC50=0.065 microM | | 分子名称: | (6R)-4-hydroxy-6-{(E)-2-[(1R,2S)-2-phenylcyclohexyl]ethenyl}-5,6-dihydro-2H-pyran-2-one, CHLORIDE ION, FORMIC ACID, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Boehringer, M, Rudolph, M.G. | | 登録日 | 2023-05-04 | | 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
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3UAL
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7FX9
 | | Crystal Structure of human FABP4 in complex with 2-(3-cyanoanilino)benzoic acid | | 分子名称: | 2-(3-cyanoanilino)benzoic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Diratsouian, J, 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 (1.1 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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7G10
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP3 in complex with 1-[(4-chloro-2-phenoxyphenyl)methyl]-4-hydroxypyridin-2-one, i.e. SMILES OC1=CC(=O)N(C=C1)Cc1ccc(cc1Oc1ccccc1)Cl with IC50=0.115 microM | | 分子名称: | 4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-one, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 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 (1.26 Å) | | 主引用文献 | Crystal Structure of a human FABP4 binding site mutated to that of FABP3 complex
To be published
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7BUQ
 | | mcGAS bound with 23-cGAMP | | 分子名称: | Cyclic GMP-AMP synthase, ZINC ION, cGAMP | | 著者 | Wang, B, Su, X.D. | | 登録日 | 2020-04-07 | | 公開日 | 2020-09-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.091 Å) | | 主引用文献 | Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Cell Rep, 32, 2020
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7G1H
 | | 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 | | 分子名称: | (2R)-2-(3,5-di-tert-butyl-2-hydroxyphenyl)-3,3,3-trifluoro-2-hydroxypropanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Masciadri, 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 (1.12 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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7G1M
 | | Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with rac-(1R,2R)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid, i.e. SMILES C1(=C(C2=C(S1)CCCC2)C1=NC(=NO1)C)NC(=O)[C@@H]1[C@H](CCCC1)C(=O)O with IC50=0.365 microM | | 分子名称: | (1R,2S)-2-{[(3M)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, Fatty acid-binding protein, adipocyte | | 著者 | Ehler, A, Benz, J, Obst, U, Neidhart, W, 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 (1.34 Å) | | 主引用文献 | Crystal Structure of a human FABP4 binding site mutated to that of FABP5 complex
To be published
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6I9P
 | | Iron-free state of Rana catesbeiana H' ferritin variant H54N | | 分子名称: | CHLORIDE ION, Ferritin, middle subunit, ... | | 著者 | Pozzi, C, Di Pisa, F, Mangani, S. | | 登録日 | 2018-11-24 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Effect of the point mutation H54N on the ferroxidase process of Rana catesbeiana H' ferritin.
J.Inorg.Biochem., 197, 2019
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7FXJ
 | | Crystal Structure of human FABP4 in complex with 1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-2H-pyrrol-5-one | | 分子名称: | (3S)-1-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,4-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 (1.03 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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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 | | 分子名称: | (3P)-2-[(2S)-oxolan-2-yl]-4-phenyl-3-(1H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 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 (1.02 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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7G1Q
 | | Crystal Structure of human FABP5 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, DIMETHYL SULFOXIDE, Fatty acid-binding protein 5, ... | | 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 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Crystal Structure of a human FABP5 complex
To be published
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7G1Y
 | | Crystal Structure of human FABP4 in complex with 2-[(3-methoxyphenyl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid | | 分子名称: | 2-{[(3-methoxyphenyl)sulfanyl]methyl}-1,3-thiazole-4-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Grenz-Achim, K, 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 (0.95 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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