6HWP
 
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1QKT
 | | MUTANT ESTROGEN NUCLEAR RECEPTOR LIGAND BINDING DOMAIN COMPLEXED WITH ESTRADIOL | | Descriptor: | ESTRADIOL, ESTRADIOL RECEPTOR | | Authors: | Ruff, M, Gangloff, M, Eiler, S, Duclaud, S, Wurtz, J.M, Moras, D. | | Deposit date: | 1999-08-05 | | Release date: | 2000-08-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structure of a Mutant Heralpha Ligand- Binding Domain Reveals Key Structural Features for the Mechanism of Partial Agonism
J.Biol.Chem., 276, 2001
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1LTJ
 | | Crystal Structure of Recombinant Human Fibrinogen Fragment D with the Peptide Ligands Gly-Pro-Arg-Pro-Amide and Gly-His-Arg-Pro-Amide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Fibrinogen Beta chain, ... | | Authors: | Kostelansky, M.S, Betts, L, Gorkun, O.V, Lord, S.T. | | Deposit date: | 2002-05-20 | | Release date: | 2002-11-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 2.8 A Crystal Structures of Recombinant Fibrinogen Fragment D with and without Two Peptide Ligands: GHRP Binding to the "b" Site Disrupts Its Nearby Calcium-binding Site.
Biochemistry, 41, 2002
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2JU7
 | | Solution-State Structures of Oleate-Liganded LFABP, Protein Only | | Descriptor: | Fatty acid-binding protein, liver | | Authors: | He, Y, Yang, X, Wang, H, Estephan, R, Francis, F, Kodukula, S, Storch, J, Stark, R.E. | | Deposit date: | 2007-08-15 | | Release date: | 2007-11-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution-State Molecular Structure of Apo and Oleate-Liganded Liver Fatty Acid-Binding Protein
Biochemistry, 46, 2007
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6FT5
 | | Structure of A3_A3, an artificial bi-domain protein based on two identical alphaRep A3 domains | | Descriptor: | GLYCEROL, SULFATE ION, alphaRep A3_A3 | | Authors: | Li de la Sierra-Gallay, I, Leger, C, Di Meo, T. | | Deposit date: | 2018-02-20 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Ligand-induced conformational switch in an artificial bidomain protein scaffold.
Sci Rep, 9, 2019
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5IHG
 | | The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme a compound I, a platin(II) compound containing a O, S bidentate ligand | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Ferraro, G, Merlino, A. | | Deposit date: | 2016-02-29 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
Dalton Trans, 45, 2016
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5II3
 | | The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme and compound 3, a platin(II) compound containing a O, S bidentate ligand | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | | Authors: | Ferraro, G, Merlino, A. | | Deposit date: | 2016-03-01 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
Dalton Trans, 45, 2016
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4EEQ
 | | Crystal structure of E. faecalis DNA ligase with inhibitor | | Descriptor: | 4-amino-2-(cyclopentyloxy)pyrimidine-5-carboxamide, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, DNA ligase, ... | | Authors: | Wang, T, Charifson, P, Wei, Y. | | Deposit date: | 2012-03-28 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis and Activity Evaluation of Potent NAD+ DNA Ligase Inhibitors as Potential Antibacterial Agents.
To be Published
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1JHA
 | | Structural Investigation of the Biosynthesis of Alternative Lower Ligands for Cobamides by Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase (CobT) from Salmonella enterica | | Descriptor: | ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, Nicotinate Mononucleotide:5,6-Dimethylbenzimidazole Phosphoribosyltransferase | | Authors: | Cheong, C.-G, Escalante-Semerena, J, Rayment, I. | | Deposit date: | 2001-06-27 | | Release date: | 2001-09-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural investigation of the biosynthesis of alternative lower ligands for cobamides by nicotinate mononucleotide: 5,6-dimethylbenzimidazole phosphoribosyltransferase from Salmonella enterica.
J.Biol.Chem., 276, 2001
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4IY5
 | | Crystal structure of the glua2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and CX516 at 2.0 A resolution | | Descriptor: | CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ... | | Authors: | Krintel, C, Frydenvang, K, Harpsoe, K, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-01-28 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural analysis of the positive AMPA receptor modulators CX516 and Me-CX516 in complex with the GluA2 ligand-binding domain
Acta Crystallogr.,Sect.D, 69, 2013
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7ZIZ
 | | X-ray structure of the dead variant haloalkane dehalogenase HaloTag7-D106A bound to a pentanol tetramethylrhodamine ligand (TMR-Hy5) | | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | | Authors: | Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J. | | Deposit date: | 2022-04-08 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
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7ZJ0
 | | X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentylmethanesulfonamide tetramethylrhodamine ligand (TMR-S5) | | Descriptor: | GLYCEROL, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[5-(methylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | | Authors: | Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J. | | Deposit date: | 2022-04-08 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
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7ZIY
 | | X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a pentyltrifluoromethanesulfonamide tetramethylrhodamine ligand (TMR-T5) | | Descriptor: | CALCIUM ION, Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[5-(trifluoromethylsulfonylamino)pentoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | | Authors: | Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J. | | Deposit date: | 2022-04-08 | | Release date: | 2023-02-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Exchangeable HaloTag Ligands for Super-Resolution Fluorescence Microscopy.
J.Am.Chem.Soc., 145, 2023
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4IY6
 | | Crystal structure of the GLUA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and ME-CX516 at 1.72 A resolution | | Descriptor: | GLUTAMIC ACID, GLYCEROL, Glutamate receptor 2, ... | | Authors: | Krintel, C, Frydenvang, K, Harpsoe, K, Gajhede, M, Kastrup, J.S. | | Deposit date: | 2013-01-28 | | Release date: | 2013-10-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural analysis of the positive AMPA receptor modulators CX516 and Me-CX516 in complex with the GluA2 ligand-binding domain
Acta Crystallogr.,Sect.D, 69, 2013
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4RG2
 | | Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand | | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-N-[3-(tert-butylamino)propyl]benzamide, Tumor suppressor p53-binding protein 1, ... | | Authors: | Dong, A, Mader, P, James, L, Perfetti, M, Tempel, W, Frye, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-09-29 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1.
ACS Chem. Biol., 10, 2015
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7ONI
 | | Structure of Neddylated CUL5 C-terminal region-RBX2-ARIH2* | | Descriptor: | Cullin-5, E3 ubiquitin-protein ligase ARIH2, NEDD8, ... | | Authors: | Kostrhon, S.P, prabu, J.R, Schulman, B.A. | | Deposit date: | 2021-05-25 | | Release date: | 2021-09-15 | | Last modified: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation.
Nat.Chem.Biol., 17, 2021
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3S2V
 | | Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution | | Descriptor: | (S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2011-05-17 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization.
J.Med.Chem., 54, 2011
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6E0A
 | | Crystal Structure of Helicobacter pylori TlpA Chemoreceptor Ligand Binding Domain | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Remington, S.J, Guillemin, K, Sweeney, E, Perkins, A. | | Deposit date: | 2018-07-06 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structures of the ligand-binding domain of Helicobacter pylori chemoreceptor TlpA.
Protein Sci., 27, 2018
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2IOK
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2IOG
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5MKU
 | | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator. | | Descriptor: | (~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid, HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP-SER, Retinoic acid receptor RXR-alpha | | Authors: | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | | Deposit date: | 2016-12-05 | | Release date: | 2017-11-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
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2OH8
 | | Myoglobin cavity mutant I28W | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Phillips Jr, G.N, Soman, J, Olson, J.S. | | Deposit date: | 2007-01-09 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ligand pathways in myoglobin: A review of trp cavity mutations.
Iubmb Life, 59, 2007
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4YT1
 | | Human PPAR Gamma Ligand Binding Domain in complex with a Gammma Selective Synthetic Partial Agonist MEKT76 | | Descriptor: | N-(benzylsulfonyl)-4-propoxy-3-({[4-(pyrimidin-2-yl)benzoyl]amino}methyl)benzamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Oyama, T, Ohashi, M, Miyachi, H, Kusunoki, M. | | Deposit date: | 2015-03-17 | | Release date: | 2016-03-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Peroxisome proliferator-activated receptor gamma (PPAR gamma ) has multiple binding points that accommodate ligands in various conformations: Structurally similar PPAR gamma partial agonists bind to PPAR gamma LBD in different conformations
Bioorg.Med.Chem.Lett., 25, 2015
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4MBX
 | | Structure of unliganded B-Lymphotropic Polyomavirus VP1 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Major Capsid Protein VP1 | | Authors: | Khan, Z.M, Neu, U, Schuch, B, Stehle, T. | | Deposit date: | 2013-08-21 | | Release date: | 2013-12-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structures of B-Lymphotropic Polyomavirus VP1 in Complex with Oligosaccharide Ligands.
Plos Pathog., 9, 2013
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2OHA
 | | Myoglobin cavity mutant F138W | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Phillips Jr, G.N, Soman, J, Olson, J.S. | | Deposit date: | 2007-01-09 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ligand pathways in myoglobin: A review of trp cavity mutations.
Iubmb Life, 59, 2007
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