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8AEI
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BU of 8aei by Molmil
X-ray structure of Canis familiaris Odorant Binding Protein 2 bound to citronellal
Descriptor: (3R)-3,7-dimethyloct-6-en-1-ol, MAGNESIUM ION, Minor allergen Can f 2
Authors:Schwartz, M, Briand, L.
Deposit date:2022-07-13
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structure of dog odorant binding protein
To Be Published
8AEJ
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BU of 8aej by Molmil
X-ray structure of Canis familiaris Odorant Binding Protein 3 bound to menthone
Descriptor: (+)-menthone, Lipocalin Can f 6.0101
Authors:Schwartz, M, Briand, L.
Deposit date:2022-07-13
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure of dog odorant binding protein
To Be Published
8AMC
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BU of 8amc by Molmil
Crystal Structure of cat allergen Fel d 4
Descriptor: Allergen Fel d 4, SULFATE ION
Authors:Schooltink, L, Sagmeister, T, Gottstein, N, Pavkov-Keller, T, Keller, W.
Deposit date:2022-08-03
Release date:2023-08-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structure of cat allergen Fel d 4
To Be Published
6S2S
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BU of 6s2s by Molmil
Hydrogenated human myelin protein P2 at 0.86-A resolution
Descriptor: CITRIC ACID, Myelin P2 protein, PALMITIC ACID, ...
Authors:Laulumaa, S, Kursula, P.
Deposit date:2019-06-21
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.86 Å)
Cite:Sub-Atomic Resolution Crystal Structures Reveal Conserved Geometric Outliers at Functional Sites.
Molecules, 24, 2019
6GE7
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BU of 6ge7 by Molmil
Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
Descriptor: Beta-lactoglobulin, nonadecanoic acid
Authors:Kontopidis, G, Rovoli, M.
Deposit date:2018-04-25
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
6GHH
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BU of 6ghh by Molmil
Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
Descriptor: Beta-lactoglobulin, N-TRIDECANOIC ACID
Authors:Kontopidis, G, Rovoli, M.
Deposit date:2018-05-07
Release date:2018-06-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
6GR0
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BU of 6gr0 by Molmil
Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin
Descriptor: 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid, GALLIUM (III) ION, Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A.
Deposit date:2018-06-08
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GFS
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BU of 6gfs by Molmil
Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
Descriptor: Beta-lactoglobulin, CHLORIDE ION, PENTADECANOIC ACID
Authors:Kontopidis, G, Rovoli, M.
Deposit date:2018-05-02
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
6STS
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BU of 6sts by Molmil
Human myelin protein P2 mutant R30Q
Descriptor: Myelin P2 protein, PALMITIC ACID, SULFATE ION
Authors:Ruskamo, S, Lehtimaki, M, Kursula, P.
Deposit date:2019-09-11
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cryo-EM, X-ray diffraction, and atomistic simulations reveal determinants for the formation of a supramolecular myelin-like proteolipid lattice.
J.Biol.Chem., 295, 2020
6GF9
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BU of 6gf9 by Molmil
Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin
Descriptor: Beta-lactoglobulin, heptadecanoic acid
Authors:Kontopidis, G, Rovoli, M.
Deposit date:2018-04-29
Release date:2018-06-20
Last modified:2018-07-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Thermodynamic, crystallographic and computational studies of non-mammalian fatty acid binding to bovine beta-Lactoglobulin.
Int. J. Biol. Macromol., 118, 2018
6GQZ
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BU of 6gqz by Molmil
Petrobactin-binding engineered lipocalin without ligand
Descriptor: Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A.
Deposit date:2018-06-08
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
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
6T42
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BU of 6t42 by Molmil
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
6HKR
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BU of 6hkr by Molmil
Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid DC271.
Descriptor: 1,2-ETHANEDIOL, 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2, ...
Authors:Tomlinson, C, Chisholm, D, Whiting, A, Pohl, E.
Deposit date:2018-09-07
Release date:2018-11-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel Fluorescence Competition Assay for Retinoic Acid Binding Proteins.
ACS Med Chem Lett, 9, 2018
6VIT
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BU of 6vit by Molmil
The Crystal Structure of Apo Domain-Swapped dimer Q108K:T51D:I32C Variant of HCRBPII with an Engineered Disulfide Bond
Descriptor: Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-01-13
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
6VID
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BU of 6vid by Molmil
The Crystal Structure of Aps Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F Variant of HCRBPII
Descriptor: ACETATE ION, GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-01-12
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The Crystal Structure of Apo Domain Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F variant of HCRBPII
To Be Published
6VIS
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BU of 6vis by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F:V62E Variant of HCRBPII
Descriptor: GLYCEROL, Retinol-binding protein 2
Authors:Ghanbarpour, A, Geiger, J.
Deposit date:2020-01-13
Release date:2020-09-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
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
5WY9
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BU of 5wy9 by Molmil
Apo form crystal structure of human Lipocalin PGDS .
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Prostaglandin-H2 D-isomerase
Authors:Saif, M, Pervushin, K.
Deposit date:2017-01-11
Release date:2017-01-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:To be published
To Be Published
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
5X7Y
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BU of 5x7y by Molmil
Crystal Structure of the Dog Lipocalin Allergen Can f 6
Descriptor: DI(HYDROXYETHYL)ETHER, Lipocalin-Can f 6 allergen
Authors:Yamamoto, K, Otani, T, Sugiura, K, Nakatsuji, M, Nishimura, S, Inui, T.
Deposit date:2017-02-28
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of the dog allergen Can f 6 and structure-based implications of its cross-reactivity with the cat allergen Fel d 4.
Sci Rep, 9, 2019
7OUB
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BU of 7oub by Molmil
High resolution structure of Alpha-1-acid glycoprotein bound to potent anti-tumour compound UCN-01
Descriptor: 7-HYDROXYSTAUROSPORINE, Alpha-1-acid glycoprotein 2
Authors:Landin, E.J.B, Williams, C, Crump, M.P.
Deposit date:2021-06-11
Release date:2021-12-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The structural basis for high affinity binding of alpha 1-acid glycoprotein to the potent antitumor compound UCN-01.
J.Biol.Chem., 297, 2021
5Y0G
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BU of 5y0g by Molmil
Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid
Descriptor: 4-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-17
Release date:2018-06-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.542 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y0X
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BU of 5y0x by Molmil
Crystal structure of human FABP4 complexed with ligand 2-fluoro-3-((4-methoxynaphthalene)-1-sulfonamido)benzoic acid
Descriptor: 2-fluoranyl-3-[(4-methoxynaphthalen-1-yl)sulfonylamino]benzoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.604 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018
5Y13
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BU of 5y13 by Molmil
Crystal structure of human FABP4 complexed with ligand 5-((4-bromonaphthalene)-1-sulfonamido)pentanoic acid
Descriptor: 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid, Fatty acid-binding protein, adipocyte
Authors:Su, H.X, Liu, Q.F, Xu, Y.C.
Deposit date:2017-07-19
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:From hit to lead: Structure-based discovery of naphthalene-1-sulfonamide derivatives as potent and selective inhibitors of fatty acid binding protein 4
Eur J Med Chem, 154, 2018

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