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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
3HH6	New azaborine compounds bind to the T4 lysozyme L99A cavity -ethylbenzene as control Descriptor: 2-HYDROXYETHYL DISULFIDE, Lysozyme, PHENYLETHANE, ... 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
3HDE	Crystal structure of full-length endolysin R21 from phage 21 Descriptor: Lysozyme Authors: Sun, Q, Arockiasamy, A, McKee, E, Caronna, E, Sacchettini, J.C. Deposit date: 2009-05-07 Release date: 2009-11-03 Last modified: 2017-11-01 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Regulation of a muralytic enzyme by dynamic membrane topology. Nat.Struct.Mol.Biol., 16, 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
3JR6	Sequential reorganization of beta-sheet topology by insertion of a single strand Descriptor: Lysozyme, SULFATE ION Authors: Sagermann, M, Baas, W.A, Matthews, B.W. Deposit date: 2009-09-08 Release date: 2009-10-20 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (3 Å) Cite: Sequential reorganization of beta-sheet topology by insertion of a single strand. Protein Sci., 15, 2006
3K2R	Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1 Descriptor: CHLORIDE ION, HEXANE-1,6-DIOL, Lysozyme, ... Authors: Toledo Warshaviak, D, Cascio, D, Khramtsov, V.V, Hubbell, W.L. Deposit date: 2009-09-30 Release date: 2010-10-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1 To be Published
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
3HU9	Nitrosobenzene in complex with T4 lysozyme L99A/M102Q Descriptor: Lysozyme, NITROSOBENZENE, 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 (1.46 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HT9	2-methoxyphenol in complex with T4 lysozyme L99A/M102Q Descriptor: BETA-MERCAPTOETHANOL, Guaiacol, 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 (2.02 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HUQ	Thieno[3,2-b]thiophene in complex with T4 lysozyme L99A/M102Q Descriptor: BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-15 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HUK	Benzylacetate in complex with T4 lysozyme L99A/M102Q Descriptor: BETA-MERCAPTOETHANOL, Lysozyme, PHOSPHATE ION, ... Authors: Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. Deposit date: 2009-06-14 Release date: 2009-11-03 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.29 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HT6	2-methylphenol in complex with T4 lysozyme L99A/M102Q Descriptor: Lysozyme, PHOSPHATE ION, o-cresol 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 (1.59 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HTD	(Z)-Thiophene-2-carboxaldoxime in complex with T4 lysozyme L99A/M102Q Descriptor: (NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine, 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 (1.4 Å) Cite: Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3GUN	T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--aniline binding Descriptor: ANILINE, 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 (1.5 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
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
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

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