8WE3
 
 | | Crystal structure of human FABP4 complexed with C7 | | Descriptor: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte | | Authors: | Xie, H, Chen, G.F, Xu, Y.C, Li, M.J. | | Deposit date: | 2023-09-16 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
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8WDX
 | | Crystal structure of human FABP4 complexed with C3 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]-6-methyl-benzoic acid, Fatty acid-binding protein, ... | | Authors: | Xie, H, Chen, G.F, Xu, Y.C. | | Deposit date: | 2023-09-16 | | Release date: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3.
Eur.J.Med.Chem., 264, 2023
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9BCB
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8VZZ
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8WKH
 | | Crystal structure of group 13 allergen from Blomia tropicalis | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, Fatty acid-binding protein | | Authors: | Zhu, K.L, Gong, Y, Cui, Y.B. | | Deposit date: | 2023-09-27 | | Release date: | 2023-11-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Immunobiological properties and structure analysis of group 13 allergen from Blomia tropicalis and its IgE-mediated cross-reactivity.
Int.J.Biol.Macromol., 254, 2023
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8W02
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8W00
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7OUB
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7OXW
 | | CrabP2 mutant R30DK31D | | Descriptor: | ACETATE ION, Cellular retinoic acid-binding protein 2, SULFATE ION | | Authors: | Pastok, M.W, Basle, A, Endicott, J.A. | | Deposit date: | 2021-06-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Structural requirements for the specific binding of CRABP2 to cyclin D3
To Be Published
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7OXX
 | | CrabP2 mutant R30AK31A | | Descriptor: | Cellular retinoic acid-binding protein 2, SODIUM ION | | Authors: | Tomlinson, C.W.E, Basle, A, Pohl, E. | | Deposit date: | 2021-06-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Structural requirements for the specific binding of CRABP2 to cyclin D3
To Be Published
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8EPU
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8EPV
 | | 2.2 A crystal structure of the lipocalin cat allergen Fel d 7 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Fel d 7 allergen, ... | | Authors: | Min, J, Pedersen, L.C, Geoffrey, M.A. | | Deposit date: | 2022-10-06 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural and ligand binding analysis of the pet allergens Can f 1 and Fel d 7.
Front Allergy, 4, 2023
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7Q19
 | | Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#3) | | Descriptor: | 1,2-ETHANEDIOL, 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, Beta-lactoglobulin, ... | | Authors: | Loch, J.I, Barciszewski, J, Pokrywka, K, Lewinski, K. | | Deposit date: | 2021-10-18 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine
Iucrj, 9, 2022
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7Q2N
 | | Beta-lactoglobulin mutant FAF (I56F/L39A/M107F) in complex with desipramine (FAF-DSM) | | Descriptor: | 1,2-ETHANEDIOL, 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, Beta-lactoglobulin, ... | | Authors: | Loch, J.I, Barciszewski, J, Lewinski, K. | | Deposit date: | 2021-10-25 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine
Iucrj, 9, 2022
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7Q2P
 | | Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#2) | | Descriptor: | 1,2-ETHANEDIOL, 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, Beta-lactoglobulin, ... | | Authors: | Loch, J.I, Barciszewski, J, Pokrywka, K, Lewinski, K. | | Deposit date: | 2021-10-25 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine
Iucrj, 9, 2022
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7Q18
 | | Beta-lactoglobulin mutant FAF (I56F/L39A/M107F), unliganded form | | Descriptor: | Beta-lactoglobulin, SULFATE ION | | Authors: | Loch, J.I, Cymborowski, M.T, Minor, W, Lewinski, K. | | Deposit date: | 2021-10-18 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine
Iucrj, 9, 2022
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7Q17
 | | Beta-lactoglobulin mutant FAW (I56F/L39A/M107W), unliganded form | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactoglobulin | | Authors: | Loch, J.I, Barciszewski, J, Lewinski, K. | | Deposit date: | 2021-10-18 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine
Iucrj, 9, 2022
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7Q2O
 | | Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#1) | | Descriptor: | 1,2-ETHANEDIOL, 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE, Beta-lactoglobulin, ... | | Authors: | Loch, J.I, Barciszewski, J, Lewinski, K. | | Deposit date: | 2021-10-25 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | New ligand-binding sites identified in the crystal structures of [beta]-lactoglobulin complexes with desipramine
Iucrj, 9, 2022
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8GEW
 | | H-FABP crystal soaked in a bromo palmitic acid solution | | Descriptor: | 2-Bromopalmitic acid, Fatty acid-binding protein, heart, ... | | Authors: | Howard, E, Cousido-Siah, A, Alvarez, A, Espinosa, Y, Podjarny, A, Mitschler, A, Carlevaro, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-08-30 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Lipid exchange in crystal-confined fatty acid binding proteins: X-ray evidence and molecular dynamics explanation.
Proteins, 91, 2023
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8GEM
 | | Crystal structure of human cellular retinol binding protein 1 in complex with N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethanamine | | Descriptor: | N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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8GDM
 | | Crystal structure of human cellular retinol binding protein 1 in complex with {[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)[1-(thiophen-2-yl)ethyl]amine | | Descriptor: | (1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-06 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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8GEY
 | | Crystal structure of human cellular retinol binding protein 1 in complex with 4-(hydroxymethyl)-1-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)sulfonyl]piperidin-4-ol | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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8GD2
 | | Crystal structure of human cellular retinol binding protein 1 in complex with N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-(2-thienylmethyl)methanamine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-03 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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8GEV
 | | Crystal structure of human cellular retinol binding protein 1 in complex with 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine | | Descriptor: | 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-10-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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8GEU
 | | Crystal structure of human cellular retinol binding protein 1 in complex with methyl({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)[(1-methylpyrazol-4-yl)methyl]amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine, Retinol-binding protein 1 | | Authors: | Plau, J, Golczak, M. | | Deposit date: | 2023-03-07 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Nonretinoid Inhibitors of CRBP1: Structural and Dynamic Insights for Ligand-Binding Mechanisms.
Acs Chem.Biol., 18, 2023
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