3QP4
 
 | | Crystal structure of CviR ligand-binding domain bound to C10-HSL | | Descriptor: | CviR transcriptional regulator, N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide | | Authors: | Chen, G, Swem, L, Swem, D, Stauff, D, O'Loughlin, C, Jeffrey, P, Bassler, B, Hughson, F. | | Deposit date: | 2011-02-11 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
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3QP2
 | | Crystal structure of CviR ligand-binding domain bound to C8-HSL | | Descriptor: | CviR transcriptional regulator, N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE | | Authors: | Chen, G, Swem, L, Swem, D, Stauff, D, O'Loughlin, C, Jeffrey, P, Bassler, B, Hughson, F. | | Deposit date: | 2011-02-11 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.638 Å) | | Cite: | A strategy for antagonizing quorum sensing.
Mol.Cell, 42, 2011
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8SLR
 | | Crystal Structure of mouse TRAIL | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pedersen, L.C, Xu, D. | | Deposit date: | 2023-04-24 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Heparan sulfate promotes TRAIL-induced tumor cell apoptosis.
Elife, 12, 2024
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1A71
 | | TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL | | Descriptor: | LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRIFLUOROETHANOL, ... | | Authors: | Colby, T.D, Bahnson, B.J, Chin, J.K, Klinman, J.P, Goldstein, B.M. | | Deposit date: | 1998-03-19 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Active site modifications in a double mutant of liver alcohol dehydrogenase: structural studies of two enzyme-ligand complexes.
Biochemistry, 37, 1998
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8FO3
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1D6Q
 | | HUMAN LYSOZYME E102 MUTANT LABELLED WITH 2',3'-EPOXYPROPYL GLYCOSIDE OF N-ACETYLLACTOSAMINE | | Descriptor: | GLYCEROL, LYSOZYME, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Muraki, M, Harata, K, Sugita, N, Sato, K. | | Deposit date: | 1999-10-15 | | Release date: | 2000-01-21 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Protein-carbohydrate interactions in human lysozyme probed by combining site-directed mutagenesis and affinity labeling.
Biochemistry, 39, 2000
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8FO4
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8FO5
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8F5D
 | | Architecture of the MurE-MurF ligase bacterial cell wall biosynthesis complex | | Descriptor: | Multifunctional fusion protein, SULFATE ION | | Authors: | Shirakawa, K.T, Sala, F.A, Miyachiro, M.M, Job, V, Trindade, D.M, Dessen, A. | | Deposit date: | 2022-11-14 | | Release date: | 2023-06-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Architecture and genomic arrangement of the MurE-MurF bacterial cell wall biosynthesis complex.
Proc.Natl.Acad.Sci.USA, 120, 2023
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6WHZ
 | | Histone deacetylases complex with peptide macrocycles | | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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1XDK
 | | Crystal Structure of the RARbeta/RXRalpha Ligand Binding Domain Heterodimer in Complex with 9-cis Retinoic Acid and a Fragment of the TRAP220 Coactivator | | Descriptor: | (9cis)-retinoic acid, Retinoic acid receptor RXR-alpha, Retinoic acid receptor, ... | | Authors: | Pogenberg, V, Guichou, J.F, Vivat-Hannah, V, Kammerer, S, Perez, E, Germain, P, De Lera, A.R, Gronemeyer, H, Royer, C.A, Bourguet, W. | | Deposit date: | 2004-09-07 | | Release date: | 2004-11-09 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | CHARACTERIZATION OF THE INTERACTION BETWEEN RAR/RXR HETERODIMERS AND TRANSCRIPTIONAL COACTIVATORS THROUGH STRUCTURAL AND FLUORESCENCE ANISOTROPY STUDIES
J.Biol.Chem., 280, 2005
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8JBA
 | | Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors | | Descriptor: | (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Xiao, Y.B. | | Deposit date: | 2023-05-08 | | Release date: | 2023-10-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents.
J.Med.Chem., 66, 2023
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1D6P
 | | HUMAN LYSOZYME L63 MUTANT LABELLED WITH 2',3'-EPOXYPROPYL N,N'-DIACETYLCHITOBIOSE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, LYSOZYME | | Authors: | Muraki, M, Harata, K, Sugita, N, Sato, K. | | Deposit date: | 1999-10-15 | | Release date: | 2000-01-21 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Protein-carbohydrate interactions in human lysozyme probed by combining site-directed mutagenesis and affinity labeling.
Biochemistry, 39, 2000
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8FBX
 | | Selenosugar synthase SenB from Variovorax paradoxus | | Descriptor: | CHLORIDE ION, SODIUM ION, Selenosugar synthase SenB | | Authors: | Ireland, K.A, Davis, K.M. | | Deposit date: | 2022-11-30 | | Release date: | 2023-11-22 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Characterization and Ligand-Induced Conformational Changes of SenB, a Se-Glycosyltransferase Involved in Selenoneine Biosynthesis.
Biochemistry, 62, 2023
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5S4P
 | | Tubulin-Z275165822-complex | | Descriptor: | 1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Muehlethaler, T, Gioia, D, Prota, A.E, Sharpe, M.E, Cavalli, A, Steinmetz, M.O. | | Deposit date: | 2020-11-08 | | Release date: | 2021-06-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Comprehensive Analysis of Binding Sites in Tubulin.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6XND
 | | Avidin-Biotin-Phenol | | Descriptor: | Avidin, N-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | | Authors: | Ahmadvand, P, Kang, C. | | Deposit date: | 2020-07-02 | | Release date: | 2021-03-03 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | A Ligand-Directed Nitrophenol Carbonate for Transient in situ Bioconjugation and Drug Delivery
Chemmedchem, 15, 2020
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8G1F
 | | Structure of ACLY-D1026A-products | | Descriptor: | (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wei, X, Marmorstein, R. | | Deposit date: | 2023-02-02 | | Release date: | 2023-05-10 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
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8G1E
 | | Structure of ACLY-D1026A-products-asym | | Descriptor: | (3S)-citryl-Coenzyme A, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wei, X, Marmorstein, R. | | Deposit date: | 2023-02-02 | | Release date: | 2023-05-10 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Allosteric role of the citrate synthase homology domain of ATP citrate lyase.
Nat Commun, 14, 2023
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8GN0
 | | Crystal structure of DCBQ-bound 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: | Kamada, S, Nakajima, Y, Shen, J.-R. | | Deposit date: | 2022-08-22 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural insights into the action mechanisms of artificial electron acceptors in photosystem II.
J.Biol.Chem., 299, 2023
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8GN2
 | | Crystal structure of PPBQ-bound 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: | Kamada, S, Nakajima, Y, Shen, J.-R. | | Deposit date: | 2022-08-22 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insights into the action mechanisms of artificial electron acceptors in photosystem II.
J.Biol.Chem., 299, 2023
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8GN1
 | | Crystal structure of DBBQ-bound 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: | Kamada, S, Nakajima, Y, Shen, J.-R. | | Deposit date: | 2022-08-22 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural insights into the action mechanisms of artificial electron acceptors in photosystem II.
J.Biol.Chem., 299, 2023
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8GCR
 | | HPV16 E6-E6AP-p53 complex | | Descriptor: | Cellular tumor antigen p53, Maltose/maltodextrin-binding periplasmic protein,Protein E6, Ubiquitin-protein ligase E3A, ... | | Authors: | Bratkowski, M.A, Wang, J.C.K, Hao, Q, Nile, A.H. | | Deposit date: | 2023-03-02 | | Release date: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structure of the p53 degradation complex from HPV16.
Nat Commun, 15, 2024
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6SBT
 | | Structure of GluK1 ligand-binding domain (S1S2) in complex with N-(7-(1H-imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl benzamide at 2.3 A resolution | | Descriptor: | CHLORIDE ION, GLYCEROL, Glutamate receptor ionotropic, ... | | Authors: | Moellerud, S, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2019-07-22 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | N-(7-(1H-Imidazol-1-yl)-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzamide, a New Kainate Receptor Selective Antagonist and Analgesic: Synthesis, X-ray Crystallography, Structure-Affinity Relationships, and in Vitro and in Vivo Pharmacology.
Acs Chem Neurosci, 10, 2019
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1M83
 | | Crystal Structure of Tryptophanyl-tRNA Synthetase Complexed with ATP in a Closed, Pre-transition State Conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Retailleau, P, Huang, X, Yin, Y, Hu, M, Weinreb, V, Vachette, P, Vonrhein, C, Bricogne, G, Roversi, P, Ilyin, V, Carter Jr, C.W. | | Deposit date: | 2002-07-24 | | Release date: | 2002-12-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Interconversion of ATP binding and conformational free energies by tryptophanyl-tRNA synthetase: structures of ATP bound to open and closed, pre-transition-state conformations.
J.Mol.Biol., 325, 2003
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2X4T
 | | Crystal structure of MHC CLass I HLA-A2.1 bound to a Peiodate- cleavable peptide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 65 KDA PHOSPHOPROTEIN, BETA-2-MICROGLOBULIN, ... | | Authors: | Rodenko, B, Toebes, M, Celie, P.H.N, Perrakis, A, Schumacher, T.N.M, Ovaa, H. | | Deposit date: | 2010-02-02 | | Release date: | 2010-03-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Class I Major Histocompatibility Complexes Loaded by a Periodate Trigger.
J.Am.Chem.Soc., 131, 2009
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