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 | | 分子名称: | 5-[(2-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazole-3-thiol, 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 (1.03 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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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 | | 分子名称: | (5P)-2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ... | | 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 (1.74 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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3TZ2
 | | Crystal structure of branched-chain alpha-ketoacid dehydrogenase kinase/phenylbutyrate complex | | 分子名称: | 4-PHENYL-BUTANOIC ACID, [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | | 著者 | Tso, S.C, Chuang, J.L, Gui, W.J, Wynn, R.M, Li, J, Chuang, D.T. | | 登録日 | 2011-09-26 | | 公開日 | 2012-10-03 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structure-based design and mechanisms of allosteric inhibitors for mitochondrial branched-chain alpha-ketoacid dehydrogenase kinase.
Proc.Natl.Acad.Sci.USA, 110, 2013
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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 | | 分子名称: | 5-(3,5-dichloroanilino)-3,3-dimethyl-5-oxopentanoic 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 | 2024-11-20 | | 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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3O7R
 | | Crystal structure of Ru(p-cymene)/apo-H49AFr | | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | 著者 | Takezawa, Y, Bockmann, P, Sugi, N, Wang, Z, Abe, S, Murakami, T, Hikage, T, Erker, G, Watanabe, Y, Kitagawa, S, Ueno, T. | | 登録日 | 2010-07-31 | | 公開日 | 2011-04-20 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Incorporation of organometallic Ru complexes into apo-ferritin cage.
J.CHEM.SOC.,DALTON TRANS., 40, 2011
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1QBG
 | | CRYSTAL STRUCTURE OF HUMAN DT-DIAPHORASE (NAD(P)H OXIDOREDUCTASE) | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | 著者 | Skelly, J.V, Sanderson, M.R, Suter, D.A, Baumann, U, Gregory, D.S, Bennett, M, Hobbs, S.M, Neidle, S. | | 登録日 | 1999-04-20 | | 公開日 | 2000-04-24 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of human DT-diaphorase: a model for interaction with the cytotoxic prodrug 5-(aziridin-1-yl)-2,4-dinitrobenzamide (CB1954).
J.Med.Chem., 42, 1999
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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 | | 分子名称: | 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, 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 (2.44 Å) | | 主引用文献 | Crystal Structure of a human FABP5 complex
To be published
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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 | | 分子名称: | (3P)-2-[(2R)-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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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 | | 分子名称: | (3aR,6S,7R,7aS)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-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 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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3O5B
 | | Crystal structure of dimeric KlHxk1 in crystal form VII with glucose bound (open state) | | 分子名称: | Hexokinase, SULFATE ION, beta-D-glucopyranose | | 著者 | Kuettner, E.B, Kettner, K, Keim, A, Kriegel, T.M, Strater, N. | | 登録日 | 2010-07-28 | | 公開日 | 2010-10-13 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Crystal Structure of Hexokinase KlHxk1 of Kluyveromyces lactis: A MOLECULAR BASIS FOR UNDERSTANDING THE CONTROL OF YEAST HEXOKINASE FUNCTIONS VIA COVALENT MODIFICATION AND OLIGOMERIZATION.
J.Biol.Chem., 285, 2010
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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 | | 分子名称: | 1,2-ETHANEDIOL, 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid, Fatty acid-binding protein, ... | | 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 (1.25 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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1ZCP
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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 | | 分子名称: | (1M)-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylic acid, 1,2-ETHANEDIOL, FORMIC ACID, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Guthrie-Robert, 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 (1.03 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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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 | | 分子名称: | 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 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 (1.96 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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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 | | 分子名称: | 3,9,9-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylic 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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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 | | 分子名称: | 1-[(4-chlorophenyl)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 (1.25 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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1ZD2
 | | Human soluble epoxide hydrolase 4-(3-cyclohexyluriedo)-ethanoic acid complex | | 分子名称: | MAGNESIUM ION, N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE, PHOSPHATE ION, ... | | 著者 | Gomez, G.A, Morisseau, C, Hammock, B.D, Christianson, D.W. | | 登録日 | 2005-04-14 | | 公開日 | 2006-03-07 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Human soluble epoxide hydrolase: structural basis of inhibition by 4-(3-cyclohexylureido)-carboxylic acids
Protein Sci., 15, 2006
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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 | | 分子名称: | (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 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 (1.4 Å) | | 主引用文献 | Crystal Structure of a human FABP5 complex
To be published
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7G1K
 | | Crystal Structure of human FABP4 in complex with 4-(4-fluorophenyl)sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylic acid, i.e. SMILES c1(c(c(nc(n1)c1ccccc1)C)C(=O)O)Sc1ccc(cc1)F with IC50=0.867 microM | | 分子名称: | 4-[(4-fluorophenyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Labadie, S, 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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7G1V
 | | Crystal Structure of human FABP4 in complex with 3-[(2-sulfanylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid, i.e. SMILES [C@@H]1([C@H]2C[C@@H]([C@H]1C(=O)O)CC2)C(=O)Nc1c(cccc1)S with IC50=6.5 microM | | 分子名称: | (1R,2R,3R,4S)-3-(1,3-benzothiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxylic acid, DIMETHYL SULFOXIDE, 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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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 | | 分子名称: | (8S)-5-[(3-chloro-2-methylphenoxy)methyl]-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 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 (2.6 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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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 | | 分子名称: | (3aR,4R,5R,6S,7R,7aR)-3-(4-chlorophenyl)-6-methyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzoxazole-5-carboxylic acid, 1,2-ETHANEDIOL, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Wickens, J, 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 (0.97 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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6I3I
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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 | | 分子名称: | Fatty acid-binding protein, adipocyte, SULFATE ION, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Dostert, 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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7FWC
 | | 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
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