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3HWE
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BU of 3hwe by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-BisHaCam
Descriptor: FE (III) ION, GLYCEROL, Neutrophil gelatinase-associated lipocalin, ...
Authors:Clifton, M.C.
Deposit date:2009-06-17
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
3HK1
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BU of 3hk1 by Molmil
Identification and Characterization of a Small Molecule Inhibitor of Fatty Acid Binding Proteins
Descriptor: 4-{[2-(methoxycarbonyl)-5-(2-thienyl)-3-thienyl]amino}-4-oxo-2-butenoic acid, Fatty acid-binding protein, adipocyte
Authors:Hertzel, A.V, Hellberg, K, Reynolds, J.M, Kruse, A.C, Juhlmann, B.E, Smith, A.J, Sanders, M.A, Ohlendorf, D.H, Suttles, J, Bernlohr, D.A.
Deposit date:2009-05-22
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins.
J.Med.Chem., 52, 2009
3FW4
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BU of 3fw4 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
Descriptor: CATECHOL, CHLORIDE ION, FE (III) ION, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2009-01-16
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
3FW5
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BU of 3fw5 by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol
Descriptor: 4-METHYLCATECHOL, CHLORIDE ION, FE (III) ION, ...
Authors:Clifton, M.C, Strong, R.K.
Deposit date:2009-01-16
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex.
Nat.Chem.Biol., 6, 2010
3FR2
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BU of 3fr2 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Rondahl, L, Uppenberg, J, Svensson, S, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FR5
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BU of 3fr5 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 5-(3-carbamoylbenzyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-4-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3FR4
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BU of 3fr4 by Molmil
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte Fatty-Acid Binding Protein (A-FABP) inhibitors
Descriptor: 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Barf, T, Hammer, K, Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Rondahl, L, Lundb ck, T.
Deposit date:2009-01-08
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2RQ0
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BU of 2rq0 by Molmil
Solution Structure of Mouse Lipocalin-type Prostaglandin D Synthase Possessing the Intrinsic Disulfide Bond
Descriptor: Prostaglandin-H2 D-isomerase
Authors:Miyamoto, Y, Nishimura, S, Inui, T.
Deposit date:2008-12-24
Release date:2009-12-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural analysis of lipocalin-type prostaglandin D synthase complexed with biliverdin by small-angle X-ray scattering and multi-dimensional NMR.
J.Struct.Biol., 2009
3FMZ
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BU of 3fmz by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand
Descriptor: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, Retinol-binding protein 4
Authors:Wang, Z, Johnstone, S, Walker, N.P.
Deposit date:2008-12-22
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
3FIQ
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BU of 3fiq by Molmil
Odorant Binding Protein OBP1
Descriptor: 1,2-ETHANEDIOL, Odorant-binding protein 1F
Authors:White, S.A.
Deposit date:2008-12-12
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structure of rat odorant-binding protein OBP1 at 1.6 A resolution
Acta Crystallogr.,Sect.D, 65, 2009
3FEL
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BU of 3fel by Molmil
Crystal structure of the R132K:R111L:T54E mutant of cellular retinoic acid-binding protein II at 1.85 angstrom resolution
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-30
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structures of apo cellular retinoic acid-binding protein II mutants: Structural integrity investigated through multiple site mutations
To be Published
3FEP
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BU of 3fep by Molmil
Crystal structure of the R132K:R111L:L121E:R59W-CRABPII mutant complexed with a synthetic ligand (merocyanin) at 2.60 angstrom resolution.
Descriptor: (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-30
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:"Turn-on" protein fluorescence: in situ formation of cyanine dyes.
J.Am.Chem.Soc., 137, 2015
3FEN
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BU of 3fen by Molmil
Crystal structure of the R132K:R111L:A32E mutant of cellular retinoic acid-binding protein II at 1.56 angstrom resolution
Descriptor: CHLORIDE ION, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-30
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structures of apo cellular retinoic acid-binding protein II mutants: Structural integrity investigated through multiple site mutations
To be Published
3FEK
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BU of 3fek by Molmil
Crystal structure of the R132K:Y134F:R111L:L121D:T54V mutant of cellular retinoic acid-binding protein II at 1.51 angstrom resolution
Descriptor: ACETATE ION, Cellular retinoic acid-binding protein 2, DI(HYDROXYETHYL)ETHER
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-30
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal structures of apo cellular retinoic acid-binding protein II mutants: Structural integrity investigated through multiple site mutations
To be Published
3FA9
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BU of 3fa9 by Molmil
Crystal structure of the apo R132K:Y134F:R111L:L121D mutant of cellular retinoic acid-binding protein II at 1.94 angstrom resolution
Descriptor: ACETATE ION, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-16
Release date:2009-10-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structures of apo cellular retinoic acid-binding protein II mutants: Structural integrity investigated through multiple site mutations
To be Published
3FA8
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BU of 3fa8 by Molmil
Crystal structure of the apo R132K:Y134F:R111L:L121E mutant of cellular retinoic acid-binding protein II at 1.78 angstrom resolution
Descriptor: Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-16
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal structures of apo cellular retinoic acid-binding protein II mutants: Structural integrity investigated through multiple site mutations
To be Published
3FA6
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BU of 3fa6 by Molmil
Crystal structure of the R132K:Y134F:R111L:L121D:T54V mutant of cellular retinoic acid-binding protein II complexed with C15-aldehyde (a retinal analog) at 1.54 angstrom resolution
Descriptor: 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-15
Release date:2009-10-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Two distinctive orientations of binding determined by a single mutation in the CRABPII mutant-C15-aldehyde complexes
To be Published
3FA7
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BU of 3fa7 by Molmil
Crystal structure of the apo R132K:R111L:L121E:R59E mutant of cellular retinoic acid-binding protein II at 1.90 angstrom resolution
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-15
Release date:2009-10-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of apo cellular retinoic acid-binding protein II mutants: Structural integrity investigated through multiple site mutations
To be Published
3F9D
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BU of 3f9d by Molmil
Crystal structure of the R132K:R111L:T54E mutant of cellular retinoic acid-binding protein II complexed with C15-aldehyde (a retinal analog) at 2.00 angstrom resolution
Descriptor: 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-13
Release date:2009-10-27
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Two distinctive orientations of binding determined by a single mutation in the CRABPII mutant-C15-aldehyde complexes
To be Published
3F8A
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BU of 3f8a by Molmil
Crystal Structure of the R132K:R111L:L121E:R59W Mutant of Cellular Retinoic Acid-Binding Protein Type II Complexed with C15-aldehyde (a retinal analog) at 1.95 Angstrom resolution.
Descriptor: 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cellular retinoic acid-binding protein 2
Authors:Jia, X, Geiger, J.H.
Deposit date:2008-11-12
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Probing Wavelength Regulation with an Engineered Rhodopsin Mimic and a C15-Retinal Analogue
Chempluschem, 77, 2012
3EYC
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BU of 3eyc by Molmil
New crystal structure of human tear lipocalin in complex with 1,4-butanediol in space group P21
Descriptor: 1,4-BUTANEDIOL, Lipocalin-1
Authors:Breustedt, D.A, Keil, L, Skerra, A.
Deposit date:2008-10-20
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A new crystal form of human tear lipocalin reveals high flexibility in the loop region and induced fit in the ligand cavity
Acta Crystallogr.,Sect.D, 65, 2009
3DTQ
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BU of 3dtq by Molmil
Engineered human lipocalin 2 with specificity for Y-DTPA, apo-form
Descriptor: Neutrophil gelatinase-associated lipocalin
Authors:Eichinger, A, Skerra, A.
Deposit date:2008-07-15
Release date:2009-05-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2.
J.Am.Chem.Soc., 131, 2009
3DSZ
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BU of 3dsz by Molmil
Engineered human lipocalin 2 in complex with Y-DTPA
Descriptor: N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, YTTRIUM (III) ION, engineered human lipocalin 2
Authors:Eichinger, A, Skerra, A.
Deposit date:2008-07-14
Release date:2009-05-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-affinity recognition of lanthanide(III) chelate complexes by a reprogrammed human lipocalin 2
J.Am.Chem.Soc., 131, 2009
2K62
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BU of 2k62 by Molmil
NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate
Descriptor: (3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid, Liver fatty acid-binding protein, YTTERBIUM (III) ION
Authors:Tomaselli, S, Zanzoni, S, Ragona, L, Gianolio, E, Aime, S, Assfalg, M, Molinari, H.
Deposit date:2008-07-03
Release date:2008-11-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based gadolinium(III)-chelate, a potential hepatospecific magnetic resonance imaging contrast agent.
J.Med.Chem., 51, 2008
3D95
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BU of 3d95 by Molmil
Crystal Structure of the R132K:Y134F:R111L:L121E:T54V Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.20 Angstroms Resolution
Descriptor: Cellular retinoic acid-binding protein 2
Authors:Vaezeslami, S, Geiger, J.H.
Deposit date:2008-05-26
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural analysis of site-directed mutants of cellular retinoic acid-binding protein II addresses the relationship between structural integrity and ligand binding.
Acta Crystallogr.,Sect.D, 64, 2008

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