PDB: 92800 resultsInfo pagesStatus searchChemie searchBIRD

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8I42	Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 7.5 Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Proton-gated ion channel Authors: Bharambe, N, Li, Z, Basak, S. Deposit date: 2023-01-18 Release date: 2024-04-10 Last modified: 2024-04-17 Method: ELECTRON MICROSCOPY (2.92 Å) Cite: Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment. Nat Commun, 15, 2024
8I47	Cryo-EM structure of nanodisc (PE:PS:PC) reconstituted GLIC at pH 5.5 Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Proton-gated ion channel Authors: Bharambe, N, Li, Z, Basak, S. Deposit date: 2023-01-18 Release date: 2024-04-17 Method: ELECTRON MICROSCOPY (2.7 Å) Cite: Cryo-EM structures of prokaryotic ligand-gated ion channel GLIC provide insights into gating in a lipid environment. Nat Commun, 15, 2024
3PWC	Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ... Authors: Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. Deposit date: 2010-12-08 Release date: 2011-12-21 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
3PYH	Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor Descriptor: 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... Authors: Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. Deposit date: 2010-12-13 Release date: 2011-12-21 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
3PWB	Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... Authors: Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. Deposit date: 2010-12-08 Release date: 2011-12-21 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
5J5X	Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1416 Descriptor: 4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine, 47P-AZ1-DAL-DAR-DAR-DAR-DAR, SULFATE ION, ... Authors: Alam, K.A, Ivan, T, Uri, A, Engh, R.A. Deposit date: 2016-04-04 Release date: 2016-07-20 Last modified: 2019-06-19 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. Bioconjug.Chem., 27, 2016
8DJG	ADGRL3-lectin domain in complex with an activating synthetic antibody fragment Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Isoform 2 of Adhesion G protein-coupled receptor L3, ... Authors: Kordon, S.P, Bandekar, S.J, Arac, D. Deposit date: 2022-06-30 Release date: 2023-02-15 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Isoform- and ligand-specific modulation of the adhesion GPCR ADGRL3/Latrophilin3 by a synthetic binder. Nat Commun, 14, 2023
6TLR	HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE Descriptor: 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... Authors: Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. Deposit date: 2019-12-03 Release date: 2020-12-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
3PLP	Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor Descriptor: 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Cationic trypsin, ... Authors: Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. Deposit date: 2010-11-15 Release date: 2011-12-07 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
7ACO	Crystal structure of E. coli HTH-type transcriptional regulator RcdA in complex with Tris at 1.80 A resolution Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HTH-type transcriptional regulator RcdA Authors: Pietrzyk-Brzezinska, A.J, Cociurovscaia, A. Deposit date: 2020-09-11 Release date: 2021-08-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.798 Å) Cite: Structures of the TetR-like transcription regulator RcdA alone and in complexes with ligands. Proteins, 90, 2022
7ACL	Crystal structure of E. coli HTH-type transcriptional regulator RcdA at 2.05 A resolution Descriptor: DI(HYDROXYETHYL)ETHER, HTH-type transcriptional regulator RcdA Authors: Pietrzyk-Brzezinska, A.J, Cociurovscaia, A. Deposit date: 2020-09-11 Release date: 2021-08-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.049 Å) Cite: Structures of the TetR-like transcription regulator RcdA alone and in complexes with ligands. Proteins, 90, 2022
7ACM	Crystal structure of E. coli HTH-type transcriptional regulator RcdA in complex with TMAO at 1.76 A resolution Descriptor: HTH-type transcriptional regulator RcdA, trimethylamine oxide Authors: Pietrzyk-Brzezinska, A.J, Cociurovscaia, A. Deposit date: 2020-09-11 Release date: 2021-08-18 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.763 Å) Cite: Structures of the TetR-like transcription regulator RcdA alone and in complexes with ligands. Proteins, 90, 2022
2OTZ	N-methylaniline in complex with T4 Lysozyme L99A Descriptor: Lysozyme, N-METHYLANILINE, PHOSPHATE ION Authors: Graves, A.P, Shoichet, B.K. Deposit date: 2007-02-09 Release date: 2007-08-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Predicting absolute ligand binding free energies to a simple model site. J.Mol.Biol., 371, 2007
4CUF	Human Notch1 EGF domains 11-13 mutant T466S Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, NEUROGENIC LOCUS NOTCH HOMOLOG PROTEIN 1 Authors: Taylor, P, Takeuchi, H, Sheppard, D, Chillakuri, C, Lea, S.M, Haltiwanger, R.S, Handford, P.A. Deposit date: 2014-03-18 Release date: 2014-05-14 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.29 Å) Cite: Fringe-Mediated Extension of O-Linked Fucose in the Ligand-Binding Region of Notch1 Increases Binding to Mammalian Notch Ligands. Proc.Natl.Acad.Sci.USA, 111, 2014
8V9O	Imaging scaffold engineered to bind the therapeutic protein target BARD1 Descriptor: CALCIUM ION, Tetrahedral Nanocage Cage Component Fused to Anti-BARD1 Darpin, Tetrahedral Nanocage Cage, ... Authors: Agdanowski, M.P, Castells-Graells, R, Sawaya, M.R, Yeates, T.O, Arbing, M.A. Deposit date: 2023-12-08 Release date: 2024-05-15 Last modified: 2024-06-12 Method: X-RAY DIFFRACTION (3.81 Å) Cite: X-ray crystal structure of a designed rigidified imaging scaffold in the ligand-free conformation. Acta Crystallogr.,Sect.F, 80, 2024
6TLU	HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5-DIBROMOBENZOTRIAZOLE Descriptor: 6,7-bis(bromanyl)-1~{H}-benzotriazole, Casein kinase II subunit alpha, SODIUM ION Authors: Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. Deposit date: 2019-12-03 Release date: 2020-12-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2. J.Phys.Chem.B, 125, 2021
1V2V	Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1 Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1V2K	Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2 Descriptor: CALCIUM ION, SULFATE ION, Trypsin, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1V2Q	Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4 Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1V2T	Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4 Descriptor: CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
3P9G	Crystal structure of the TSG101 UEV domain in complex with FA459 peptide Descriptor: Gag polyprotein, Tumor susceptibility gene 101 protein Authors: Hurley, J.H, Im, Y.J. Deposit date: 2010-10-17 Release date: 2011-06-29 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Elucidation of New Binding Interactions with the Tumor Susceptibility Gene 101 (Tsg101) Protein Using Modified HIV-1 Gag-p6 Derived Peptide Ligands. ACS Med Chem Lett, 2, 2011
1V2N	Potent factor XA inhibitor in complex with bovine trypsin variant X(99/175/190)bT Descriptor: 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Trypsin Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1V2S	Benzamidine in complex with bovine trypsin variant X(SSFI.Glu)bT.D1 Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.72 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
1V2J	BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)bT.C1 Descriptor: BENZAMIDINE, CALCIUM ION, SULFATE ION, ... Authors: Rauh, D, Klebe, G, Stubbs, M.T. Deposit date: 2003-10-17 Release date: 2004-06-01 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
3P9H	Crystal structure of the TSG101 UEV domain in complex with FA258 peptide Descriptor: Gag polyprotein, Tumor susceptibility gene 101 protein Authors: Hurley, J.H, Im, Y.J. Deposit date: 2010-10-17 Release date: 2011-06-29 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Elucidation of New Binding Interactions with the Tumor Susceptibility Gene 101 (Tsg101) Protein Using Modified HIV-1 Gag-p6 Derived Peptide Ligands. ACS Med Chem Lett, 2, 2011

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