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 | | 分子名称: | Fatty acid-binding protein, adipocyte, SULFATE ION, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Boehringer, 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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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 | | 分子名称: | 2-methyl-2-(pentachlorophenoxy)propanoic acid, FORMIC ACID, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Wain, 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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6QEB
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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 | | 分子名称: | 5-benzyl-4-(2,5-dimethyl-1H-pyrrol-1-yl)-4H-1,2,4-triazole-3-thiol, FORMIC ACID, Fatty acid-binding protein, ... | | 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 (1.03 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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3U90
 | | apoferritin: complex with SDS | | 分子名称: | CADMIUM ION, DODECYL SULFATE, Ferritin light chain | | 著者 | Liu, R, Bu, W, Xi, J, Mortazavi, S.R, Cheung-Lau, J.C, Dmochowski, I.J, Loll, P.J. | | 登録日 | 2011-10-17 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Beyond the detergent effect: a binding site for sodium dodecyl sulfate (SDS) in mammalian apoferritin.
Acta Crystallogr.,Sect.D, 68, 2012
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1ZH9
 | | carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor | | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase II, ... | | 著者 | Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T. | | 登録日 | 2005-04-23 | | 公開日 | 2006-05-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor
To be Published
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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 | | 分子名称: | 4-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-5,6-dihydro-2H-pyran-3-carboxylic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 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 (1.12 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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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 | | 分子名称: | (2Z)-4-(4-bromo-2-chloroanilino)-4-oxobut-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 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 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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1ICQ
 | | CRYSTAL STRUCTURE OF 12-OXOPHYTODIENOATE REDUCTASE 1 FROM TOMATO COMPLEXED WITH 9R,13R-OPDA | | 分子名称: | 12-OXOPHYTODIENOATE REDUCTASE 1, 9R,13R-12-OXOPHYTODIENOIC ACID, FLAVIN MONONUCLEOTIDE | | 著者 | Breithaupt, C, Strassner, J, Breitinger, U, Huber, R, Macheroux, P, Schaller, A, Clausen, T. | | 登録日 | 2001-04-02 | | 公開日 | 2001-05-16 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-ray structure of 12-oxophytodienoate reductase 1 provides structural insight into substrate binding and specificity within the family of OYE.
Structure, 9, 2001
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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 | | 分子名称: | (3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine, CHLORIDE ION, 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 (1.29 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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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 | | 分子名称: | (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 | | 著者 | Ehler, A, Benz, J, Obst, U, Buettelmann, B, 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 (1.51 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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8CJU
 | | PBP AccA from A. vitis S4 in complex with agrocin84 | | 分子名称: | ABC transporter substrate binding protein (Agrocinopine), [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid | | 著者 | Morera, S, Vigouroux, A. | | 登録日 | 2023-02-13 | | 公開日 | 2024-01-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.349 Å) | | 主引用文献 | A highly conserved ligand-binding site for AccA transporters of antibiotic and quorum-sensing regulator in Agrobacterium leads to a different specificity.
Biochem.J., 481, 2024
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4Z9X
 | | Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus pyogenes | | 分子名称: | Gluconate 5-dehydrogenase | | 著者 | Maruyama, Y, Takase, R, Oiki, S, Mikami, B, Murata, K, Hashimoto, W. | | 登録日 | 2015-04-13 | | 公開日 | 2015-04-29 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural determinants in bacterial 2-keto-3-deoxy-D-gluconate dehydrogenase KduD for dual-coenzyme specificity
Proteins, 84, 2016
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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 | | 分子名称: | 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 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 (1.17 Å) | | 主引用文献 | Crystal Structure of a human FABP5 complex
To be published
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6IPO
 | | Ferritin mutant C90A/C102A/C130A/D144C | | 分子名称: | Ferritin heavy chain, MAGNESIUM ION | | 著者 | Zang, J, Chen, H, Zhang, X, Zhao, G. | | 登録日 | 2018-11-03 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.998 Å) | | 主引用文献 | Disulfide-mediated conversion of 8-mer bowl-like protein architecture into three different nanocages.
Nat Commun, 10, 2019
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7FYG
 | | Crystal Structure of human FABP4 in complex with 6-benzyl-2H-1,2,4-triazine-3,5-dithione | | 分子名称: | 1,2-ETHANEDIOL, 6-benzyl-1,2,4-triazine-3,5(2H,4H)-dithione, Fatty acid-binding protein, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Koch, W, 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 (0.94 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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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 | | 分子名称: | 5-(benzyloxy)-4-(prop-2-en-1-yl)-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 (1.12 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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6U2N
 | | PCSK9 in complex with compound 4 | | 分子名称: | 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | | 著者 | Lu, J, Soisson, S. | | 登録日 | 2019-08-20 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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3TJJ
 | | Crystal structure of human peroxiredoxin IV C245A mutant in sulfenylated form | | 分子名称: | Peroxiredoxin-4 | | 著者 | Cao, Z, Tavender, T.J, Roszak, A.W, Cogdell, R.J, Bulleid, N.J. | | 登録日 | 2011-08-24 | | 公開日 | 2011-10-12 | | 最終更新日 | 2024-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Crystal Structure of Reduced and of Oxidized Peroxiredoxin IV Enzyme Reveals a Stable Oxidized Decamer and a Non-disulfide-bonded Intermediate in the Catalytic Cycle.
J.Biol.Chem., 286, 2011
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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 | | 分子名称: | 2-{[(4R)-4-phenyl-3,4-dihydro-2H-1lambda~4~-thiophen-5-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, 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 (1.4 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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6Q3O
 | | PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE | | 分子名称: | 4-sulfamoylbenzoic acid, Aromatic foldamer, Carbonic anhydrase 2, ... | | 著者 | Zeberko, C, Langlois d'Estaintot, B, Fischer, L, Granier, T, Kauffmann, B, Huc, I. | | 登録日 | 2018-12-04 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE
To Be Published
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1I6V
 | | THERMUS AQUATICUS CORE RNA POLYMERASE-RIFAMPICIN COMPLEX | | 分子名称: | DNA-DIRECTED RNA POLYMERASE, MAGNESIUM ION, RIFAMPICIN, ... | | 著者 | Campbell, E.A, Korzheva, N, Mustaev, A, Murakami, K, Goldfarb, A, Darst, S.A. | | 登録日 | 2001-03-05 | | 公開日 | 2001-04-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structural mechanism for rifampicin inhibition of bacterial rna polymerase.
Cell(Cambridge,Mass.), 104, 2001
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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 | | 分子名称: | (3M,6P)-N-methyl-6-(3-methylthiophen-2-yl)-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine, 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 (0.96 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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3TKC
 | | Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains | | 分子名称: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | | 著者 | Huet, T, Moras, D, Rochel, N. | | 登録日 | 2011-08-26 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains.
Chemistry, 18, 2012
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3TKR
 | | Crystal structure of full-length human peroxiredoxin 4 with T118E mutation | | 分子名称: | Peroxiredoxin-4 | | 著者 | Wang, X, Wang, L, Wang, X, Sun, F, Wang, C.-C. | | 登録日 | 2011-08-28 | | 公開日 | 2011-10-05 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural insights into the peroxidase activity and inactivation of human peroxiredoxin 4
Biochem.J., 2011
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