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8GDM
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BU of 8gdm by Molmil
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
8GD2
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BU of 8gd2 by Molmil
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
8GEY
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BU of 8gey by Molmil
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
7NQB
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BU of 7nqb by Molmil
X.ray structure of the oxaliplatin/beta-lactoglobulin adduct
Descriptor: Beta-lactoglobulin, PLATINUM (II) ION
Authors:Merlino, A, Loreto, D, Ferraro, G.
Deposit date:2021-03-01
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Protein-Based Delivery Systems for Anticancer Metallodrugs: Structure and Biological Activity of the Oxaliplatin/ beta-Lactoglobulin Adduct.
Pharmaceuticals, 15, 2022
7O60
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BU of 7o60 by Molmil
Crystal structure of human myelin protein P2 at room temperature from joint X-ray and neutron refinement.
Descriptor: CITRIC ACID, Myelin P2 protein, PALMITIC ACID
Authors:Laulumaa, S, Blakeley, M.P, Kursula, P.
Deposit date:2021-04-09
Release date:2021-09-01
Last modified:2021-12-15
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Human myelin protein P2: from crystallography to time-lapse membrane imaging and neuropathy-associated variants.
Febs J., 288, 2021
6T42
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Bovine lactoglobulin complex with decanol
Descriptor: Beta-lactoglobulin, DECAN-1-OL
Authors:Loch, J.I, Kopec, M, Lewinski, K.
Deposit date:2019-10-11
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational flexibility and ligand binding properties of ovine beta-lactoglobulin.
Acta Biochim.Pol., 66, 2019
6T44
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BU of 6t44 by Molmil
Ovine lactoglobulin complex with decanol
Descriptor: Beta-lactoglobulin-1/B, DECAN-1-OL
Authors:Loch, J.I, Kopec, M, Lewinski, K.
Deposit date:2019-10-12
Release date:2019-10-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational flexibility and ligand binding properties of ovine beta-lactoglobulin.
Acta Biochim.Pol., 66, 2019
5H9A
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BU of 5h9a by Molmil
Crystal structure of the Apo form of human cellular retinol binding protein 1
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Retinol-binding protein 1
Authors:Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S.
Deposit date:2015-12-26
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.381 Å)
Cite:Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures.
J.Biol.Chem., 291, 2016
5H8T
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Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol
Descriptor: RETINOL, Retinol-binding protein 1
Authors:Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S.
Deposit date:2015-12-23
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures.
J.Biol.Chem., 291, 2016
5HZ5
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BU of 5hz5 by Molmil
FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline
Descriptor: 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2017-01-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5HTD
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BU of 5htd by Molmil
Recombinant bovine beta-lactoglobulin variant L1A/I2S with endogenous ligand (sBlgB#1)
Descriptor: Beta-lactoglobulin, MYRISTIC ACID
Authors:Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K.
Deposit date:2016-01-26
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation.
Mol Biotechnol., 58, 2016
5HTE
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BU of 5hte by Molmil
Recombinant bovine beta-lactoglobulin variant L1A/I2S (sBlgB#2)
Descriptor: Beta-lactoglobulin
Authors:Loch, J.I, Bonarek, P, Tworzydlo, M, Polit, A, Hawro, B, Lach, A, Ludwin, E, Lewinski, K.
Deposit date:2016-01-26
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineered beta-Lactoglobulin Produced in E. coli: Purification, Biophysical and Structural Characterisation.
Mol Biotechnol., 58, 2016
5HZ6
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FABP4 in complex with 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid
Descriptor: 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2016-12-14
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
3T1D
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BU of 3t1d by Molmil
The mutant structure of human Siderocalin W79A, R81A, Y106F bound to Enterobactin
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-07-21
Release date:2011-08-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Parsing the functional specificity of Siderocalin/Lipocalin 2/NGAL for siderophores and related small-molecule ligands.
J Struct Biol X, 2, 2019
3TF6
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BU of 3tf6 by Molmil
Crystal structure of Neutrophil gelatinase-associated lipocalin (C87S mutant) in complex with Europium and the siderophore analog tren(cam)(1,2-hopo)2
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, CHLORIDE ION, EUROPIUM ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-08-15
Release date:2011-09-07
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be published, 7
5HZ8
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BU of 5hz8 by Molmil
FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid
Descriptor: 6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid, DIMETHYL SULFOXIDE, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2016-12-14
Last modified:2017-03-08
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5HZ9
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BU of 5hz9 by Molmil
human FABP3 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid
Descriptor: 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, CHLORIDE ION, Fatty acid-binding protein, ...
Authors:Ehler, A, Rudolph, M.G.
Deposit date:2016-02-02
Release date:2016-12-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
5IO6
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BU of 5io6 by Molmil
Bovine beta-lactoglobulin complex with dodecane, ambient pressure
Descriptor: DODECANE, Major allergen beta-lactoglobulin
Authors:Kurpiewska, K, Biela, A.
Deposit date:2016-03-08
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin.
Colloids Surf B Biointerfaces, 161, 2017
5IO7
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BU of 5io7 by Molmil
Bovine beta-lactoglobulin complex with dodecane at high pressure (0.43 GPa)
Descriptor: Beta-lactoglobulin, CHLORIDE ION, DODECANE
Authors:Kurpiewska, K, Biela, A.
Deposit date:2016-03-08
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin.
Colloids Surf B Biointerfaces, 161, 2017
3U0D
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BU of 3u0d by Molmil
The structure of human Siderocalin bound to the bacterial siderophore 2,3-DHBA
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, CHLORIDE ION, FE (III) ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-28
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Siderocalin/Lcn2/NGAL/24p3 does not drive apoptosis through gentisic acid mediated iron withdrawal in hematopoietic cell lines.
Plos One, 7, 2012
3U9P
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BU of 3u9p by Molmil
Crystal Structure of Murine Siderocalin in Complex with an Fab Fragment
Descriptor: Monoclonal Fab Fragment Heavy Chain, Monoclonal Fab Fragment Light Chain, Neutrophil gelatinase-associated lipocalin
Authors:Correnti, C, Strong, R.K.
Deposit date:2011-10-19
Release date:2013-05-01
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Siderocalin/Lcn2/NGAL/24p3 does not drive apoptosis through gentisic acid mediated iron withdrawal in hematopoietic cell lines.
Plos One, 7, 2012
5IO5
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BU of 5io5 by Molmil
Unliganded form of bovine beta-lactoglobulin, ambient pressure
Descriptor: Beta-lactoglobulin, CHLORIDE ION
Authors:Kurpiewska, K, Biela, A.
Deposit date:2016-03-08
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin.
Colloids Surf B Biointerfaces, 161, 2017
3TZS
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BU of 3tzs by Molmil
Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea
Descriptor: 1,2-ETHANEDIOL, 1-phenylurea, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-09-27
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be published, 7
3UEV
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BU of 3uev by Molmil
Bovine beta-lactoglobulin complex with myristic acid
Descriptor: Beta-lactoglobulin, GLYCEROL, MYRISTIC ACID
Authors:Loch, J, Lewinski, K.
Deposit date:2011-10-31
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bovine beta-lactoglobulin complex with myristic acid
Int.J.Biol.Macromol., 50, 2012
3UEX
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BU of 3uex by Molmil
Bovine beta-lactoglobulin complex with stearic acid
Descriptor: Beta-lactoglobulin, ETHANOL, STEARIC ACID
Authors:Loch, J, Lewinski, K.
Deposit date:2011-10-31
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bovine beta-lactoglobulin complex with stearic acid
Int.J.Biol.Macromol., 50, 2012

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