PDB: 868 resultsInfo pagesStatus searchChemie searchBIRD

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3DN8	Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant (seleno version) Descriptor: 1,2,3,4,5-pentafluoro-6-iodobenzene, 2-HYDROXYETHYL DISULFIDE, BETA-MERCAPTOETHANOL, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2008-07-01 Release date: 2008-11-11 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding. J.Mol.Biol., 385, 2009
3DN6	1,3,5-trifluoro-2,4,6-trichlorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant Descriptor: 1,3,5-trichloro-2,4,6-trifluorobenzene, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2008-07-01 Release date: 2008-11-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding. J.Mol.Biol., 385, 2009
3DMX	Benzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant Descriptor: 2-HYDROXYETHYL DISULFIDE, BENZENE, CHLORIDE ION, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2008-07-01 Release date: 2009-01-27 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding J.Mol.Biol., 385, 2009
3DN3	Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant Descriptor: 1,2,3,4,5-pentafluoro-6-iodobenzene, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2008-07-01 Release date: 2008-11-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding. J.Mol.Biol., 385, 2009
3FAD	Evaulaution at Atomic Resolution of the Role of Strain in Destabilizing the Temperature Sensitive T4 Lysozyme Mutant Arg96-->His Descriptor: BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION Authors: Mooers, B.H.M, Matthews, B.W. Deposit date: 2008-11-17 Release date: 2009-02-17 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Evaluation at atomic resolution of the role of strain in destabilizing the temperature-sensitive T4 lysozyme mutant Arg 96 --> His. Protein Sci., 18, 2009
3GUP	T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--pyridine binding Descriptor: CARBONATE ION, CHLORIDE ION, Lysozyme, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-03-30 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme. Biochemistry, 48, 2009
3GUJ	T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--Benzene binding Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, BETA-MERCAPTOETHANOL, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-03-30 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme. Biochemistry, 48, 2009
3GUO	T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--phenol binding Descriptor: CALCIUM ION, CHLORIDE ION, Lysozyme, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-03-30 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme. Biochemistry, 48, 2009
3GUM	T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--p-xylene binding Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-03-30 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.24 Å) Cite: Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme. Biochemistry, 48, 2009
3GUI	T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--Apo structure Descriptor: BETA-MERCAPTOETHANOL, CARBONATE ION, Lysozyme, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-03-30 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme. Biochemistry, 48, 2009
3GUL	T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--ethylbenzene binding Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-03-30 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme. Biochemistry, 48, 2009
3GUK	T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--Toluene binding Descriptor: ACETATE ION, CALCIUM ION, CHLORIDE ION, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-03-30 Release date: 2009-08-25 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme. Biochemistry, 48, 2009
3HDF	Crystal structure of truncated endolysin R21 from phage 21 Descriptor: GLYCEROL, Lysozyme, NITRATE ION Authors: Sun, Q, Sacchettini, J.C. Deposit date: 2009-05-07 Release date: 2009-11-03 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Regulation of a muralytic enzyme by dynamic membrane topology. Nat.Struct.Mol.Biol., 16, 2009
3HH3	New azaborine compounds bind to the T4 lysozyme L99A cavity - 1,2-dihydro-1,2-azaborine Descriptor: 1,2-dihydro-1,2-azaborinine, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-05-14 Release date: 2009-10-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme. Angew.Chem.Int.Ed.Engl., 48, 2009
3HH4	New azaborine compounds bind to the T4 lysozyme L99A cavity - Benzene as control Descriptor: 2-HYDROXYETHYL DISULFIDE, BENZENE, Lysozyme, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-05-14 Release date: 2009-10-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme. Angew.Chem.Int.Ed.Engl., 48, 2009
3HH5	New azaborine compounds bind to the T4 lysozyme L99A cavity - 1-ethyl-2-hydro-1,2-azaborine Descriptor: 1-ethyl-1,2-dihydro-1,2-azaborinine, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ... Authors: Liu, L, Matthews, B.W. Deposit date: 2009-05-14 Release date: 2009-10-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme. Angew.Chem.Int.Ed.Engl., 48, 2009
3G3V	Crystal structure of spin labeled T4 Lysozyme (V131R1) at 291 K Descriptor: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ... Authors: Fleissner, M.R, Cascio, D, Hubbell, W.L. Deposit date: 2009-02-02 Release date: 2009-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural origin of weakly ordered nitroxide motion in spin-labeled proteins. Protein Sci., 18, 2009
3G3W	Crystal structure of spin labeled T4 Lysozyme (T151R1) at 291 K Descriptor: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ... Authors: Fleissner, M.R, Cascio, D, Hubbell, W.L. Deposit date: 2009-02-02 Release date: 2009-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural origin of weakly ordered nitroxide motion in spin-labeled proteins. Protein Sci., 18, 2009
3G3X	Crystal structure of spin labeled T4 Lysozyme (T151R1) at 100 K Descriptor: 2-HYDROXYETHYL DISULFIDE, AZIDE ION, CHLORIDE ION, ... Authors: Fleissner, M.R, Cascio, D, Hubbell, W.L. Deposit date: 2009-02-02 Release date: 2009-05-05 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural origin of weakly ordered nitroxide motion in spin-labeled proteins. Protein Sci., 18, 2009
3HT8	5-chloro-2-methylphenol in complex with T4 lysozyme L99A/M102Q Descriptor: 5-chloro-2-methylphenol, Lysozyme, PHOSPHATE ION Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-11 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HTG	2-ethoxy-3,4-dihydro-2h-pyran in complex with T4 lysozyme L99A/M102Q Descriptor: (2S)-2-ethoxy-3,4-dihydro-2H-pyran, BETA-MERCAPTOETHANOL, Lysozyme, ... Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-11 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HUA	4,5,6,7-tetrahydroindole in complex with T4 lysozyme L99A/M102Q Descriptor: 4,5,6,7-tetrahydro-1H-indole, BETA-MERCAPTOETHANOL, Lysozyme, ... Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-13 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HU8	2-ethoxyphenol in complex with T4 lysozyme L99A/M102Q Descriptor: 2-ethoxyphenol, Lysozyme, PHOSPHATE ION Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-13 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HT7	2-ethylphenol in complex with T4 lysozyme L99A/M102Q Descriptor: 2-ethylphenol, BETA-MERCAPTOETHANOL, Lysozyme, ... Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-11 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HTF	4-chloro-1h-pyrazole in complex with T4 lysozyme L99A/M102Q Descriptor: 4-chloro-1H-pyrazole, BETA-MERCAPTOETHANOL, Lysozyme, ... Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-11 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009

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