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PDB: 846 件
5KI1
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BU of 5ki1 by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y18F
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin
著者Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
3HU9
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BU of 3hu9 by Molmil
Nitrosobenzene in complex with T4 lysozyme L99A/M102Q
分子名称: Lysozyme, NITROSOBENZENE, PHOSPHATE ION
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-13
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site.
J.Mol.Biol., 394, 2009
5JGR
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BU of 5jgr by Molmil
Spin-Labeled T4 Lysozyme Construct K43V1
分子名称: CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-04-20
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
7L3I
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BU of 7l3i by Molmil
T4 Lysozyme L99A - propylbenzene - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Endolysin, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
2RB2
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BU of 2rb2 by Molmil
3-methylbenzylazide in complex with T4 lysozyme L99A
分子名称: 1-(azidomethyl)-3-methylbenzene, Lysozyme, PHOSPHATE ION
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-17
公開日2008-03-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.463 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBP
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BU of 2rbp by Molmil
2-(n-propylthio)ethanol in complex with T4 lysozyme L99A/M102Q
分子名称: 2-(propylsulfanyl)ethanol, Lysozyme, PHOSPHATE ION
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-19
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
5JGU
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BU of 5jgu by Molmil
Spin-Labeled T4 Lysozyme Construct R119V1
分子名称: CHLORIDE ION, Endolysin, PHOSPHATE ION, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-04-20
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.468 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
5JWW
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BU of 5jww by Molmil
T4 Lysozyme L99A/M102Q with 1-Hydro-2-ethyl-1,2-azaborine Bound
分子名称: 2-ethyl-1,2-dihydro-1,2-azaborinine, CHLORIDE ION, Endolysin
著者Lee, H, Fischer, M, Shoichet, B.K, Liu, S.-Y.
登録日2016-05-12
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics.
J.Am.Chem.Soc., 138, 2016
5KGR
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BU of 5kgr by Molmil
Spin-Labeled T4 Lysozyme Construct I9V1/V131V1 (30 days)
分子名称: CHLORIDE ION, Endolysin, HEXANE-1,6-DIOL, ...
著者Balo, A.R, Feyrer, H, Ernst, O.P.
登録日2016-06-13
公開日2017-02-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.473 Å)
主引用文献Toward Precise Interpretation of DEER-Based Distance Distributions: Insights from Structural Characterization of V1 Spin-Labeled Side Chains.
Biochemistry, 55, 2016
4I7M
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BU of 4i7m by Molmil
T4 Lysozyme L99A/M102H with 2-allylphenol bound
分子名称: 2-ALLYLPHENOL, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-03-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
5KHZ
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BU of 5khz by Molmil
PSEUDO T4 LYSOZYME
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin
著者Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
7L3J
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BU of 7l3j by Molmil
T4 Lysozyme L99A - benzylacetate - RT
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
7L3F
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BU of 7l3f by Molmil
T4 Lysozyme L99A - 4-iodotoluene - RT
分子名称: 1-iodo-4-methylbenzene, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Fischer, M, Bradford, S.Y.C.
登録日2020-12-17
公開日2021-10-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Temperature artifacts in protein structures bias ligand-binding predictions.
Chem Sci, 12, 2021
4EKR
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BU of 4ekr by Molmil
T4 Lysozyme L99A/M102H with 2-Cyanophenol Bound
分子名称: 2-HYDROXYETHYL DISULFIDE, 2-hydroxybenzonitrile, ACETATE ION, ...
著者Merski, M, Shoichet, B.K.
登録日2012-04-09
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Engineering a model protein cavity to catalyze the Kemp elimination.
Proc.Natl.Acad.Sci.USA, 109, 2012
5KI2
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BU of 5ki2 by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y18PHE-METHYL
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin
著者Ford, M.C, Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
5KIG
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BU of 5kig by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y88F
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin
著者Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
5KIM
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BU of 5kim by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y88PHE-I
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin, SODIUM ION
著者Scholfield, M.R.
登録日2016-06-16
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
1P7S
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BU of 1p7s by Molmil
T4 LYSOZYME CORE REPACKING MUTANT V103I/TA
分子名称: LYSOZYME
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-05-05
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
6V51
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BU of 6v51 by Molmil
Spin-labeled T4 Lysozyme (9/131FnbY)-(4-Amino-TEMPO)
分子名称: 4-amino-2,2,6,6-tetramethylpiperidin-1-ol, Endolysin
著者Liu, J, Morizumi, T, Ou, W.L, Wang, L, Ernst, O.P.
登録日2019-12-02
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Genetically Encoded Quinone Methides Enabling Rapid, Site-Specific, and Photocontrolled Protein Modification with Amine Reagents.
J.Am.Chem.Soc., 142, 2020
3K2R
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BU of 3k2r by Molmil
Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1
分子名称: CHLORIDE ION, HEXANE-1,6-DIOL, Lysozyme, ...
著者Toledo Warshaviak, D, Cascio, D, Khramtsov, V.V, Hubbell, W.L.
登録日2009-09-30
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Spin Labeled T4 Lysozyme Mutant K65V1/R76V1
To be Published
7LOJ
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BU of 7loj by Molmil
T4 lysozyme mutant L99A in complex with 4-(3-phenylpropyl)aniline
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(3-phenylpropyl)aniline, Lysozyme
著者Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
登録日2021-02-10
公開日2021-05-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7XE9
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BU of 7xe9 by Molmil
T4 lysozyme mutant-S44C/C54T/N68C/A93C/C97A/T115C, DMSO 20%
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Endolysin, ...
著者Tamada, T, Hiromoto, T.
登録日2022-03-30
公開日2023-03-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.
Front Mol Biosci, 9, 2022
3GUP
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BU of 3gup by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--pyridine binding
分子名称: CARBONATE ION, CHLORIDE ION, Lysozyme, ...
著者Liu, L, Matthews, B.W.
登録日2009-03-30
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
3GUN
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BU of 3gun by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--aniline binding
分子名称: ANILINE, CALCIUM ION, CHLORIDE ION, ...
著者Liu, L, Matthews, B.W.
登録日2009-03-30
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
4W52
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BU of 4w52 by Molmil
T4 Lysozyme L99A with Benzene Bound
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin
著者Merski, M, Shoichet, B.K, Eidam, O, Fischer, M.
登録日2014-08-16
公開日2015-04-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5001 Å)
主引用文献Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015

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