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1F5Y
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BU of 1f5y by Molmil
NMR STRUCTURE OF A CONCATEMER OF THE FIRST AND SECOND LIGAND-BINDING MODULES OF THE HUMAN LDL RECEPTOR
Descriptor: CALCIUM ION, LOW-DENSITY LIPOPROTEIN RECEPTOR
Authors:Kurniawan, N.D, Atkins, A.R, Brereton, I.M, Kroon, P.A, Smith, R.
Deposit date:2000-06-18
Release date:2000-08-30
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:NMR structure of a concatemer of the first and second ligand-binding modules of the human low-density lipoprotein receptor.
Protein Sci., 9, 2000
1YP0
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BU of 1yp0 by Molmil
Structure of the steroidogenic factor-1 ligand binding domain bound to phospholipid and a SHP peptide motif
Descriptor: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0, group B, ...
Authors:Li, Y, Choi, M, Cavey, G, Daugherty, J, Suino, K, Kovach, A, Bingham, N, Kliewer, S, Xu, H.
Deposit date:2005-01-28
Release date:2005-04-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic identification and functional characterization of phospholipids as ligands for the orphan nuclear receptor steroidogenic factor-1.
Mol.Cell, 17, 2005
2HUW
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BU of 2huw by Molmil
X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand
Descriptor: Growth factor receptor-bound protein 2, N-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-L-valyl-L-aspartamide, PHOSPHATE ION
Authors:Benfield, A.P, Martin, S.F.
Deposit date:2006-07-27
Release date:2006-08-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand Preorganization May Be Accompanied by Entropic Penalties in Protein-Ligand Interactions.
Angew.Chem.Int.Ed.Engl., 45, 2006
2CKL
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BU of 2ckl by Molmil
Ring1b-Bmi1 E3 catalytic domain structure
Descriptor: IODIDE ION, POLYCOMB GROUP RING FINGER PROTEIN 4, UBIQUITIN LIGASE PROTEIN RING2, ...
Authors:Buchwald, G, van der Stoop, P, Weichenrieder, O, Perrakis, A, van Lohuizen, M, Sixma, T.K.
Deposit date:2006-04-20
Release date:2006-05-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and E3-Ligase Activity of the Ring-Ring Complex of Polycomb Proteins Bmi1 and Ring1B.
Embo J., 25, 2006
2D8U
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BU of 2d8u by Molmil
Solution structure of the B-box domain of the human tripartite motif-containing 63 protein
Descriptor: Ubiquitin ligase TRIM63, ZINC ION
Authors:Miyamoto, K, Kigawa, T, Tomizawa, T, Koshiba, S, Inoue, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-08
Release date:2006-06-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the B-box domain of the human tripartite motif-containing 63 protein
To be Published
2D9S
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BU of 2d9s by Molmil
Solution structure of RSGI RUH-049, a UBA domain from mouse cDNA
Descriptor: CBL E3 ubiquitin protein ligase
Authors:Hamada, T, Hirota, H, Lin, Y.-J, Guntert, P, Kurosaki, C, Izumi, K, Yoshida, M, Koshiba, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2005-12-13
Release date:2007-01-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of RSGI RUH-049, a UBA domain from mouse cDNA
To be Published
5J9C
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BU of 5j9c by Molmil
Crystal structure of peroxiredoxin Asp f3 C31S/C61S variant
Descriptor: MAGNESIUM ION, peroxiredoxin Asp f3
Authors:Bzymek, K.P, Williams, J.C, Hong, T.B, Bagramyan, K, Kalkum, M.
Deposit date:2016-04-08
Release date:2016-09-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.956 Å)
Cite:The Crystal Structure of Peroxiredoxin Asp f3 Provides Mechanistic Insight into Oxidative Stress Resistance and Virulence of Aspergillus fumigatus.
Sci Rep, 6, 2016
2E31
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BU of 2e31 by Molmil
Structural basis for selection of glycosylated substrate by SCFFbs1 ubiquitin ligase
Descriptor: F-box only protein 2, S-phase kinase-associated protein 1A
Authors:Mizushima, T, Yoshida, Y, Kumanomidou, T, Hasegawa, Y, Yamane, T, Tanaka, K.
Deposit date:2006-11-20
Release date:2007-03-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the selection of glycosylated substrates by SCFFbs1 ubiquitin ligase
Proc.Natl.Acad.Sci.Usa, 104, 2007
7Z57
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BU of 7z57 by Molmil
Crystal structure of Human Serum Albumin in complex with surfactant GenX (2,3,3,3-tetrafluoro-2-(heptafluoropropoxy) propanoate)
Descriptor: (2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Albumin, ...
Authors:Liberi, S, Moro, G, Vascon, F, Linciano, S, De Toni, L, Angelin, A, Cendron, L.
Deposit date:2022-03-08
Release date:2022-10-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Investigation of the Interaction between Human Serum Albumin and Branched Short-Chain Perfluoroalkyl Compounds.
Chem.Res.Toxicol., 35, 2022
2YZM
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BU of 2yzm by Molmil
Structure of D-Alanine:D-Alanine Ligase with substrate from Thermus thermophilus HB8
Descriptor: D-ALANINE, D-alanine--D-alanine ligase
Authors:Kitamura, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-06
Release date:2007-11-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structure of D-Alanine:D-Alanine Ligase with substrate from Thermus thermophilus HB8
To be Published
3TK3
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BU of 3tk3 by Molmil
Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2011-08-25
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8001 Å)
Cite:Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
6JIK
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BU of 6jik by Molmil
Aspergillus fumigatus Rho1 GsGTP
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho GTPase Rho1
Authors:Bartual, S.G, Van Aalten, D.M.F.
Deposit date:2019-02-22
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Aspergillus fumigatus Rho1 gSGTP complex
To Be Published
2YZG
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BU of 2yzg by Molmil
Crystal structure of D-ALA:D-ALA Ligase from Thermus thermophilus HB8
Descriptor: D-alanine--D-alanine ligase
Authors:Kitamura, Y, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-05-05
Release date:2007-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of D-ALA:D-ALA Ligase from Thermus thermophilus HB8
To be Published
5XUB
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BU of 5xub by Molmil
The citrate-bound trimer of chemoreceptor MCP2201 ligand binding domain
Descriptor: CITRIC ACID, Methyl-accepting chemotaxis sensory transducer
Authors:Hong, Y, Li, D.F, Wang, D.C.
Deposit date:2017-06-23
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The ligand-binding domain of a chemoreceptor from Comamonas testosteroni has a previously unknown homotrimeric structure.
Mol.Microbiol., 2019
2E32
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BU of 2e32 by Molmil
Structural basis for selection of glycosylated substrate by SCFFbs1 ubiquitin ligase
Descriptor: F-box only protein 2, S-phase kinase-associated protein 1A
Authors:Mizushima, T, Yoshida, Y, Kumanomidou, T, Hasegawa, Y, Yamane, T, Tanaka, K.
Deposit date:2006-11-20
Release date:2007-03-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Structural basis for the selection of glycosylated substrates by SCFFbs1 ubiquitin ligase
Proc.Natl.Acad.Sci.Usa, 104, 2007
4OZR
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BU of 4ozr by Molmil
Crystal structure of the ligand binding domains of the Bovicola ovis ecdysone receptor EcR/USP heterodimer (methylene lactam crystal)
Descriptor: Ecdysone receptor, Retinoid X receptor
Authors:Ren, B, Peat, T.S, Streltsov, V.A, Pollard, M, Fernley, R, Grusovin, J, Seabrook, S, Pilling, P, Phan, T, Lu, L, Lovrecz, G.O, Graham, L.D, Hill, R.J.
Deposit date:2014-02-18
Release date:2014-07-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unprecedented conformational flexibility revealed in the ligand-binding domains of the Bovicola ovis ecdysone receptor (EcR) and ultraspiracle (USP) subunits.
Acta Crystallogr.,Sect.D, 70, 2014
4JFM
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BU of 4jfm by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate
Descriptor: 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
5C7J
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BU of 5c7j by Molmil
CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT
Descriptor: E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C
Authors:Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC)
Deposit date:2015-06-24
Release date:2016-03-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
3GCL
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BU of 3gcl by Molmil
Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
Descriptor: 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2009-02-22
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding modes of aromatic ligands to mammalian heme peroxidases with associated functional implications: crystal structures of lactoperoxidase complexes with acetylsalicylic acid, salicylhydroxamic acid, and benzylhydroxamic acid
J.Biol.Chem., 284, 2009
7SNQ
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BU of 7snq by Molmil
Hexamer HIV-1 CA in complex with CPSF6 peptide and IP6 ligand
Descriptor: CHLORIDE ION, Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-10-28
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Prion-like low complexity regions enable avid virus-host interactions during HIV-1 infection.
Nat Commun, 13, 2022
4JFI
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BU of 4jfi by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
Descriptor: 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
1PNJ
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BU of 1pnj by Molmil
SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE
Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN
Authors:Booker, G.W, Gout, I, Downing, A.K, Driscoll, P.C, Boyd, J, Waterfield, M.D, Campbell, I.D.
Deposit date:1993-07-19
Release date:1993-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure and ligand-binding site of the SH3 domain of the p85 alpha subunit of phosphatidylinositol 3-kinase.
Cell(Cambridge,Mass.), 73, 1993
4F8H
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BU of 4f8h by Molmil
X-ray Structure of the Anesthetic Ketamine Bound to the GLIC Pentameric Ligand-gated Ion Channel
Descriptor: (R)-ketamine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Proton-gated ion channel, ...
Authors:Pan, J.J, Chen, Q, Willenbring, D, Kong, X.P, Cohen, A, Xu, Y, Tang, P.
Deposit date:2012-05-17
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structure of the Pentameric Ligand-Gated Ion Channel GLIC Bound with Anesthetic Ketamine.
Structure, 20, 2012
5VZW
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BU of 5vzw by Molmil
TRIM23 RING domain in complex with UbcH5-Ub
Descriptor: E3 ubiquitin-protein ligase TRIM23, Ubiquitin, Ubiquitin-conjugating enzyme E2 D2, ...
Authors:Pornillos, O, Dawidziak, D.
Deposit date:2017-05-29
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.278 Å)
Cite:Structure and catalytic activation of the TRIM23 RING E3 ubiquitin ligase.
Proteins, 85, 2017
4JFK
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BU of 4jfk by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one
Descriptor: (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013

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