2VUD
 
 | | PA-IIL lectin from pseudomonas aeruginosa complexed with fucose- derived glycomimetics | | Descriptor: | CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ... | | Authors: | Beha, S, Marotte, K, Sabin, C, Mitchell, E.P, Imberty, A, Roy, R. | | Deposit date: | 2008-05-22 | | Release date: | 2009-07-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fucose-Derived Glycomimetics as High Affinity Ligands for Bacterial Lectin Pa-Iil from Pseudomonas Aeruginosa
To be Published
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5L3H
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3TNY
 | | Structure of YfiY from Bacillus cereus bound to the siderophore iron (III) schizokinen | | Descriptor: | YfiY (ABC transport system substrate-binding protein), [2-(hydroxy-kappaO)-4-[(3-{(hydroxy-kappaO)[1-(hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-{2-[(3-{(hydroxy-kappaO)[1- (hydroxy-kappaO)ethenyl]amino}propyl)amino]-2-oxoethyl}-4-oxobutanoato(6-)-kappaO]iron | | Authors: | Clifton, M.C. | | Deposit date: | 2011-09-02 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
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3NZX
 | | Crystal structure of the yeast 20S proteasome in complex with ligand 2c | | Descriptor: | Proteasome component C1, Proteasome component C11, Proteasome component C5, ... | | Authors: | Groll, M, Gallastegui, N, Marechal, X, Le Ravalec, V, Basse, N, Richy, N, Genin, E, Huber, R, Moroder, M, Vidal, V, Reboud-Ravaux, M. | | Deposit date: | 2010-07-17 | | Release date: | 2011-02-16 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | 20S proteasome inhibition: designing noncovalent linear peptide mimics of the natural product TMC-95A.
Chemmedchem, 5, 2010
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3UVV
 | | Crystal Structure of the ligand binding domains of the thyroid receptor:retinoid X receptor complexed with 3,3',5 triiodo-L-thyronine and 9-cis retinoic acid | | Descriptor: | (9cis)-retinoic acid, 3,5,3'TRIIODOTHYRONINE, Retinoic acid receptor RXR-alpha, ... | | Authors: | Fernandez, E.J, Putcha, B.-D.K, Wright, E, Brunzelle, J.S. | | Deposit date: | 2011-11-30 | | Release date: | 2012-04-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis for negative cooperativity within agonist-bound TR:RXR heterodimers.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4TUV
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3URF
 | | Human RANKL/OPG complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 11, soluble form, ... | | Authors: | Wang, X.Q, Luan, X.D, Lu, Q.Y. | | Deposit date: | 2011-11-22 | | Release date: | 2012-07-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Crystal Structure of Human RANKL Complexed with Its Decoy Receptor Osteoprotegerin
J.Immunol., 189, 2012
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4H57
 | | Thermolysin inhibition | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Englert, L, Biela, A, Heine, A, Klebe, G. | | Deposit date: | 2012-09-18 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin.
Angew.Chem.Int.Ed.Engl., 52, 2013
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4XHD
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN WITH COMPOUND-1 | | Descriptor: | GLYCEROL, N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-cyclopropylacetamide, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Khan, J.A, Camac, D.M. | | Deposit date: | 2015-01-05 | | Release date: | 2015-01-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Developing Adnectins That Target SRC Co-Activator Binding to PXR: A Structural Approach toward Understanding Promiscuity of PXR.
J.Mol.Biol., 427, 2015
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7OD5
 | | F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV LSP crystallization | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... | | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Fufina, T.Y, Vasilieva, L.G. | | Deposit date: | 2021-04-28 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex.
Iucrj, 9, 2022
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3WL2
 | | Monoclinic Lysozyme at 0.96 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Lysozyme C, NITRATE ION, ... | | Authors: | Matsumoto, T, Yamano, A, Hasegawa, T, Maeyama, M. | | Deposit date: | 2013-11-06 | | Release date: | 2014-11-12 | | Method: | X-RAY DIFFRACTION (0.96 Å) | | Cite: | Evaluation of Rigaku XtaLAB P200
To be Published
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4AXB
 | | Crystal structure of soman-aged human butyrylcholinesterase in complex with 2-PAM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Wandhammer, M, de Koning, M, Noort, D, Goeldner, M, Nachon, F. | | Deposit date: | 2012-06-12 | | Release date: | 2012-08-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Step Toward the Reactivation of Aged Cholinesterases -Crystal Structure of Ligands Binding to Aged Human Butyrylcholinesterase
Chem.Biol.Interact, 203, 2013
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2PCS
 | | Crystal structure of conserved protein from Geobacillus kaustophilus | | Descriptor: | Conserved protein, UNKNOWN LIGAND | | Authors: | Bonanno, J.B, Gilmore, J, Bain, K.T, Wu, B, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-03-30 | | Release date: | 2007-04-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of conserved protein from Geobacillus kaustophilus
To be Published
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6A1I
 | | Crystal structure of a synthase 1 from Santalum album | | Descriptor: | CARBONATE ION, GLYCEROL, NICKEL (II) ION, ... | | Authors: | Han, X, Ko, T.P, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-06-07 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of a synthase 1 from Santalum album in complex with ligand
To Be Published
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1SHX
 | | Ephrin A5 ligand structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin-A5 | | Authors: | Himanen, J.P, Barton, W.A, Nikolov, D.B, Jeffrey, P.D. | | Deposit date: | 2004-02-26 | | Release date: | 2005-04-19 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Three distinct molecular surfaces in ephrin-A5 are essential for a functional interaction with EphA3.
J.Biol.Chem., 280, 2005
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1LLR
 | | CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012 | | Descriptor: | 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE, 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside, CHOLERA TOXIN B SUBUNIT | | Authors: | Merritt, E.A, Hol, W.G.J. | | Deposit date: | 2002-04-30 | | Release date: | 2002-08-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Characterization and crystal structure of a high-affinity pentavalent receptor-binding inhibitor for cholera toxin and E. coli heat-labile enterotoxin.
J.Am.Chem.Soc., 124, 2002
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2WR6
 | | Structure of the complex of RBP4 with linoleic acid | | Descriptor: | (11E,13E,15Z)-OCTADECA-11,13,15-TRIENOIC ACID, CHLORIDE ION, RETINOL-BINDING PROTEIN 4 | | Authors: | Huang, H.-J, Nanao, M, Stout, T, Rosen, J. | | Deposit date: | 2009-08-29 | | Release date: | 2010-09-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of a Non-Retinoid Compound and Fatty Acids as Ligands for Retinol Binding Protein 4 and Their Implications in Diabetes
To be Published
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1UTR
 | | UTEROGLOBIN-PCB COMPLEX (REDUCED FORM) | | Descriptor: | 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL, UTEROGLOBIN | | Authors: | Hard, T, Barnes, H.J, Larsson, C, Gustafsson, J.-A, Lund, J. | | Deposit date: | 1995-09-01 | | Release date: | 1995-12-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a mammalian PCB-binding protein in complex with a PCB.
Nat.Struct.Biol., 2, 1995
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6DA6
 | | Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes, apo form at 2.6 A resolution (P212121) | | Descriptor: | GLYCEROL, MAGNESIUM ION, UNKNOWN LIGAND, ... | | Authors: | Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2018-05-01 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
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6DA7
 | | Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with apo form at 1.83 A resolution (I222) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SODIUM ION, ... | | Authors: | Han, L, Rudolf, J.D, Chang, C.-Y, Miller, M.D, Soman, J, Phillips Jr, G.N, Shen, B, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2018-05-01 | | Release date: | 2018-10-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Biochemical and Structural Characterization of TtnD, a Prenylated FMN-Dependent Decarboxylase from the Tautomycetin Biosynthetic Pathway.
ACS Chem. Biol., 13, 2018
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1UM2
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3H4Q
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3GZI
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2VGJ
 | | Crystal structure of Actinomadura R39 DD-peptidase complexed with a peptidoglycan-mimetic cephalosporin | | Descriptor: | CEPHALOSPORIN, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ... | | Authors: | Sauvage, E, kerff, F, Herman, R, Charlier, P. | | Deposit date: | 2007-11-14 | | Release date: | 2008-11-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Complexes of Bacterial Dd-Peptidases with Peptidoglycan-Mimetic Ligands: The Substrate Specificity Puzzle.
J.Mol.Biol., 381, 2008
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2GO3
 | | Crystal structure of Aquifex aeolicus LpxC complexed with imidazole. | | Descriptor: | CHLORIDE ION, GLYCEROL, IMIDAZOLE, ... | | Authors: | Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W. | | Deposit date: | 2006-04-12 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
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