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7LX7	T4 lysozyme mutant L99A Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-phenylethoxy)phenol, Lysozyme Authors: Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. Deposit date: 2021-03-03 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
7LX8	T4 lysozyme mutant L99A Descriptor: 1-chloro-2-(methylsulfanyl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Lysozyme Authors: Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. Deposit date: 2021-03-03 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.03 Å) Cite: Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
7LOC	T4 lysozyme mutant L99A in complex with 1-bromanyl-4-fluoranyl-benzene Descriptor: 1-bromanyl-4-fluoranyl-benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... Authors: Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. Deposit date: 2021-02-09 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.16 Å) Cite: Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
7LOB	T4 lysozyme mutant L99A in complex with 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene Descriptor: 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... Authors: Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. Deposit date: 2021-02-09 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.1 Å) Cite: Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
7LOJ	T4 lysozyme mutant L99A in complex with 4-(3-phenylpropyl)aniline Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(3-phenylpropyl)aniline, Lysozyme Authors: Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. Deposit date: 2021-02-10 Release date: 2021-05-19 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
7LXA	T4 lysozyme mutant L99A Descriptor: (2-methylprop-2-en-1-yl)benzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ... Authors: Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. Deposit date: 2021-03-03 Release date: 2021-08-25 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.07 Å) Cite: Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
7LX6	T4 lysozyme mutant L99A Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole, Lysozyme Authors: Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K. Deposit date: 2021-03-03 Release date: 2021-09-29 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.05 Å) Cite: Energy penalties enhance flexible receptor docking in a model cavity. Proc.Natl.Acad.Sci.USA, 118, 2021
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
1P37	T4 LYSOZYME CORE REPACKING BACK-REVERTANT L102M/CORE10 Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... Authors: Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. Deposit date: 2003-04-16 Release date: 2003-10-07 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
1P3N	CORE REDESIGN BACK-REVERTANT I103V/CORE10 Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... Authors: Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. Deposit date: 2003-04-17 Release date: 2003-10-07 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
1P64	T4 LYSOZYME CORE REPACKING MUTANT L133F/TA Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... Authors: Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. Deposit date: 2003-04-28 Release date: 2003-10-07 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
1OWZ	T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 4-FluoroPhenEthyl Alcohol Descriptor: 4-FLUOROPHENETHYL ALCOHOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... Authors: Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. Deposit date: 2003-03-31 Release date: 2004-04-13 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
1OV5	T4 Lysozyme Cavity Mutant L99a/M102Q Bound With 2-Allylphenol Descriptor: 2-ALLYLPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... Authors: Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. Deposit date: 2003-03-25 Release date: 2004-04-06 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
1OYU	Long-Distance conformational changes in a protein engineered by modulated sequence duplication Descriptor: Lysozyme Authors: Sagermann, M, Gay, L, Matthews, B.W. Deposit date: 2003-04-07 Release date: 2003-07-08 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Long-distance conformational changes in a protein engineered by modulated sequence duplication Proc.Natl.Acad.Sci.USA, 100, 2003
1P46	T4 lysozyme core repacking mutant M106I/TA Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... Authors: Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. Deposit date: 2003-04-21 Release date: 2003-10-07 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
1P7S	T4 LYSOZYME CORE REPACKING MUTANT V103I/TA Descriptor: LYSOZYME Authors: Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. Deposit date: 2003-05-05 Release date: 2003-10-07 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Repacking the Core of T4 Lysozyme by Automated Design J.Mol.Biol., 332, 2003
1OV7	T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol Descriptor: 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... Authors: Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. Deposit date: 2003-03-25 Release date: 2004-04-06 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2 Å) Cite: Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
1P36	T4 LYOSZYME CORE REPACKING MUTANT I100V/TA Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME, ... Authors: Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. Deposit date: 2003-04-16 Release date: 2003-10-07 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
1OVJ	T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 3-Fluoro-2-Methyl_Aniline Descriptor: 3-FLUORO-2-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... Authors: Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. Deposit date: 2003-03-26 Release date: 2004-04-06 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2 Å) Cite: Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
1NHB	Specificity of ligand binding in a buried non-polar cavity of t4 lysozyme: linkage of dynamics and structural plasticity Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, PHENYLETHANE, ... Authors: Morton, A, Matthews, B.W. Deposit date: 1995-02-24 Release date: 1995-07-10 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity. Biochemistry, 34, 1995
1PQJ	T4 LYSOZYME CORE REPACKING MUTANT A111V/CORE10/TA Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ... Authors: Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. Deposit date: 2003-06-18 Release date: 2003-10-07 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.9 Å) Cite: REPACKING THE CORE OF T4 LYSOZYME BY AUTOMATED DESIGN J.Mol.Biol., 332, 2003
1PQM	T4 Lysozyme Core Repacking Mutant V149I/T152V/TA Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ... Authors: Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. Deposit date: 2003-06-18 Release date: 2003-10-07 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.52 Å) Cite: Repacking the Core of T4 Lysozyme by Automated Design J.Mol.Biol., 332, 2003
1P2L	T4 Lysozyme Core Repacking Mutant V87I/TA Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ... Authors: Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W. Deposit date: 2003-04-15 Release date: 2003-10-07 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Repacking the Core of T4 lysozyme by automated design J.Mol.Biol., 332, 2003
1OVK	T4 Lysozyme Cavity Mutant L99A/M102Q Bound with N-Allyl-Aniline Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ... Authors: Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. Deposit date: 2003-03-26 Release date: 2004-04-06 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Testing a Flexible-receptor Docking Algorithm in a Model Binding Site J.Mol.Biol., 337, 2004
1P56	Duplication-extension of Helix A of T4 lysozyme Descriptor: PROTEIN (Lysozyme) Authors: Sagermann, M, Gay, L, Baase, W.A, Matthews, B.W. Deposit date: 2003-04-25 Release date: 2004-05-04 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Relocation or duplication of the helix A sequence of T4 lysozyme causes only modest changes in structure but can increase or decrease the rate of folding. Biochemistry, 43, 2004

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