3WG4
 
 | | Crystal structure of Agrocybe cylindracea galectin mutant (N46A) with blood type A antigen tetraose | | Descriptor: | DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | | Deposit date: | 2013-07-25 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
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4W9P
 | | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
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3WG3
 | | Crystal structure of Agrocybe cylindracea galectin with blood type A antigen tetraose | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, ... | | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | | Deposit date: | 2013-07-25 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity.
Febs Lett., 587, 2013
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9EO0
 | | Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | | Deposit date: | 2024-03-14 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
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3FO6
 | | Crystal structure of guanine riboswitch bound to 6-O-methylguanine | | Descriptor: | 6-O-methylguanine, ACETATE ION, COBALT HEXAMMINE(III), ... | | Authors: | Gilbert, S.D, Reyes, F.E, Batey, R.T. | | Deposit date: | 2008-12-28 | | Release date: | 2009-06-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs.
Structure, 17, 2009
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3WU2
 | | Crystal structure analysis of Photosystem II complex | | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Umena, Y, Kawakami, K, Shen, J.R, Kamiya, N. | | Deposit date: | 2014-04-21 | | Release date: | 2014-09-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 A
Nature, 473, 2011
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3WAQ
 | | Hemerythrin-like domain of DcrH I119E mutant (met) | | Descriptor: | Hemerythrin-like domain protein DcrH, MU-OXO-DIIRON | | Authors: | Okamoto, Y, Onoda, A, Sugimoto, H, Takano, Y, Hirota, S, Kurtz Jr, D.M, Shiro, Y, Hayashi, T. | | Deposit date: | 2013-05-07 | | Release date: | 2014-03-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure, exogenous ligand binding, and redox properties of an engineered diiron active site in a bacterial hemerythrin
Inorg.Chem., 52, 2013
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3N8D
 | | Crystal structure of Staphylococcus aureus VRSA-9 D-Ala:D-Ala ligase | | Descriptor: | CHLORIDE ION, D-alanine--D-alanine ligase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Saul, F.A, Haouz, A, Meziane-Cherif, D. | | Deposit date: | 2010-05-28 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis of vancomycin dependence in VanA-type Staphylococcus aureus VRSA-9.
J.Bacteriol., 192, 2010
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4XE1
 | | Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN | | Descriptor: | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Alterio, V, De Simone, G. | | Deposit date: | 2014-12-21 | | Release date: | 2015-03-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor.
Org.Biomol.Chem., 13, 2015
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5M8C
 | | Spliceosome component | | Descriptor: | Pre-mRNA-processing factor 19 | | Authors: | Moura, T.R, Pena, V. | | Deposit date: | 2016-10-28 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Prp19/Pso4 Is an Autoinhibited Ubiquitin Ligase Activated by Stepwise Assembly of Three Splicing Factors.
Mol. Cell, 69, 2018
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4XST
 | | Structure of the endoglycosidase-H treated L1-CR domains of the human insulin receptor in complex with residues 697-719 of the human insulin receptor (A-isoform) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, SULFATE ION, ... | | Authors: | Menting, J.G, Lawrence, C.F, Kong, G.K.-W, Lawrence, M.C. | | Deposit date: | 2015-01-22 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors.
Structure, 23, 2015
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2A0T
 | | NMR structure of the FHA1 domain of Rad53 in complex with a biological relevant phosphopeptide derived from Madt1 | | Descriptor: | Hypothetical 73.8 kDa protein in SAS3-SEC17 intergenic region, residues 301-310, Serine/threonine-protein kinase RAD53 | | Authors: | Mahajan, A, Yuan, C, Pike, B.L, Heierhorst, J, Chang, C.-F, Tsai, M.-D. | | Deposit date: | 2005-06-16 | | Release date: | 2005-11-08 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | FHA Domain-Ligand Interactions: Importance of Integrating Chemical and Biological Approaches
J.Am.Chem.Soc., 127, 2005
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7VWF
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7VWG
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8QBN
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7VWE
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7VWH
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8QE8
 | | Structure of the non-canonical CTLH E3 substrate receptor WDR26 bound to NMNAT1 substrate | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 1, WD repeat-containing protein 26, ... | | Authors: | Chrustowicz, J, Sherpa, D, Schulman, B.A. | | Deposit date: | 2023-08-30 | | Release date: | 2024-05-15 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Non-canonical substrate recognition by the human WDR26-CTLH E3 ligase regulates prodrug metabolism.
Mol.Cell, 84, 2024
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6F5R
 | | Crystal Structure of KDM4D with GF028 ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid, CHLORIDE ION, ... | | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | Deposit date: | 2017-12-02 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.607 Å) | | Cite: | Crystal Structure of KDM4D with GF028 ligand
To be published
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5G6U
 | | Crystal structure of langerin carbohydrate recognition domain with GlcNS6S | | Descriptor: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Porkolab, V, Chabrol, E, Varga, N, Ordanini, S, Sutkeviciute, I, Thepaut, M, Bernardi, A, Fieschi, F. | | Deposit date: | 2016-07-21 | | Release date: | 2018-02-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.844 Å) | | Cite: | Rational-Differential Design of Highly Specific Glycomimetic Ligands: Targeting DC-SIGN and Excluding Langerin Recognition.
ACS Chem. Biol., 13, 2018
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3FO4
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6F5S
 | | Crystal Structure of KDM4D with tetrazole ligand GF049 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | | Deposit date: | 2017-12-02 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal Structure of KDM4D with tetrazole ligand GF049
To be published
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4XSS
 | | Insulin-like growth factor I in complex with site 1 of a hybrid insulin receptor / Type 1 insulin-like growth factor receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin receptor, ... | | Authors: | Lawrence, C, Kong, G.K.-W, Menting, J.G, Lawrence, M.C. | | Deposit date: | 2015-01-22 | | Release date: | 2015-06-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Congruency of Ligand Binding to the Insulin and Insulin/Type 1 Insulin-like Growth Factor Hybrid Receptors.
Structure, 23, 2015
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4IB9
 | | Bovine beta-lactoglobulin (isoform B) in complex with dodecyltrimethylammonium (DTAC) | | Descriptor: | DODECANE-TRIMETHYLAMINE, GLYCEROL, beta-lactoglobulin | | Authors: | Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. | | Deposit date: | 2012-12-08 | | Release date: | 2013-06-26 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
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5V83
 | | Structure of DCN1 bound to NAcM-HIT | | Descriptor: | Lysozyme,DCN1-like protein 1 chimera, N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea | | Authors: | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | | Deposit date: | 2017-03-21 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
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