PDB: 72744 resultsInfo pagesStatus searchChemie searchBIRD

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2BLM	BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C AT 2 ANGSTROMS RESOLUTION Descriptor: BETA-LACTAMASE Authors: Moews, P.C, Knox, J.R, Dideberg, O. Deposit date: 1990-02-02 Release date: 1990-10-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Beta-lactamase of Bacillus licheniformis 749/C at 2 A resolution. Proteins, 7, 1990
1D7H	FKBP COMPLEXED WITH DMSO Descriptor: AMMONIUM ION, DIMETHYL SULFOXIDE, PROTEIN (FK506-BINDING PROTEIN), ... Authors: Burkhard, P, Taylor, P, Walkinshaw, M.D. Deposit date: 1999-10-18 Release date: 1999-10-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
7AZE	DNA polymerase sliding clamp from Escherichia coli with peptide 18 bound Descriptor: Beta sliding clamp, GLYCEROL, MALONATE ION, ... Authors: Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. Deposit date: 2020-11-16 Release date: 2021-12-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
7AZC	DNA polymerase sliding clamp from Escherichia coli with peptide 22 bound Descriptor: Beta sliding clamp, GLYCEROL, Peptide 22 Authors: Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. Deposit date: 2020-11-16 Release date: 2021-12-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
7AZF	DNA polymerase sliding clamp from Escherichia coli with peptide 8 bound Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. Deposit date: 2020-11-16 Release date: 2021-12-01 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
7AZ8	DNA polymerase sliding clamp from Escherichia coli with peptide 43 bound Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. Deposit date: 2020-11-16 Release date: 2021-12-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
7AZD	DNA polymerase sliding clamp from Escherichia coli with peptide 20 bound Descriptor: Beta sliding clamp, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... Authors: Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. Deposit date: 2020-11-16 Release date: 2021-12-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.19 Å) Cite: Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
7AZK	DNA polymerase sliding clamp from Escherichia coli with peptide 35 bound Descriptor: Beta sliding clamp, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... Authors: Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. Deposit date: 2020-11-16 Release date: 2021-12-01 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
3DOW	Complex structure of GABA type A receptor associated protein and its binding epitope on calreticulin Descriptor: CRT peptide, Gamma-aminobutyric acid receptor-associated protein, ZINC ION Authors: Thielmann, Y, Weiergraeber, O.H, Willbold, D. Deposit date: 2008-07-07 Release date: 2009-02-24 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural framework of the GABARAP-calreticulin interface - implications for substrate binding to endoplasmic reticulum chaperones. Febs J., 276, 2009
1D7J	FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE Descriptor: 4-HYDROXY-2-BUTANONE, AMMONIUM ION, PROTEIN (FK506-BINDING PROTEIN), ... Authors: Burkhard, P, Taylor, P, Walkinshaw, M.D. Deposit date: 1999-10-18 Release date: 1999-10-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.85 Å) Cite: X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
1D7I	FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS) Descriptor: AMMONIUM ION, METHYL METHYLSULFINYLMETHYL SULFIDE, PROTEIN (FK506-BINDING PROTEIN), ... Authors: Burkhard, P, Taylor, P, Walkinshaw, M.D. Deposit date: 1999-10-18 Release date: 1999-10-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
2ESY	Structure and influence on stability and activity of the N-terminal propetide part of lung surfactant protein C Descriptor: lung surfactant protein C Authors: Li, J, Liepinsh, E, Almlen, A, Thyberg, J, Curstedt, T, Jornvall, H, Johansson, J. Deposit date: 2005-10-27 Release date: 2005-11-15 Last modified: 2022-03-09 Method: SOLUTION NMR Cite: Structure and influence on stability and activity of the N-terminal propeptide part of lung surfactant protein C Febs J., 273, 2006
7XXH	Cryo-EM structure of the purinergic receptor P2Y1R in complex with 2MeSADP and G11 Descriptor: 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), Guanine nucleotide-binding protein G(11) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... Authors: Tan, Q, Li, B, Han, S, Zhao, Q, Wu, B. Deposit date: 2022-05-30 Release date: 2023-06-07 Last modified: 2023-09-20 Method: ELECTRON MICROSCOPY (2.9 Å) Cite: Structural insights into signal transduction of the purinergic receptors P2Y1R and P2Y12R. Protein Cell, 14, 2023
4NVB	Predicting protein conformational response in prospective ligand discovery. Descriptor: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVM	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVG	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.742 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVF	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVE	Predicting protein conformational response in prospective ligand discovery Descriptor: BENZIMIDAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVN	Predicting protein conformational response in prospective ligand discovery Descriptor: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVO	Predicting protein conformational response in prospective ligand discovery Descriptor: 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.71 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVJ	Predicting protein conformational response in prospective ligand discovery. Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.813 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVD	Predicting protein conformational response in prospective ligand discovery. Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVC	Predicting protein conformational response in prospective ligand discovery Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVI	Predicting protein conformational response in prospective ligand discovery. Descriptor: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVA	Predicting protein conformational response in prospective ligand discovery Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014

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