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PDB: 846 件
4I7R
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BU of 4i7r by Molmil
T4 Lysozyme L99A/M102H with 2-(pyrazolo-1-yl) ethanol bound
分子名称: 2-(1H-pyrazol-1-yl)ethanol, 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 (1.52 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
1PQM
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BU of 1pqm by Molmil
T4 Lysozyme Core Repacking Mutant V149I/T152V/TA
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-06-18
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
4I7L
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T4 Lysozyme L99A/M102H with phenol bound
分子名称: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Merski, M, Shoichet, B.K.
登録日2012-11-30
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.52 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
3FI5
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BU of 3fi5 by Molmil
Crystal Structure of T4 Lysozyme Mutant R96W
分子名称: CHLORIDE ION, ISOPROPYL ALCOHOL, Lysozyme, ...
著者Mooers, B.H.M, Matthews, B.W.
登録日2008-12-11
公開日2009-02-17
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Contributions of all 20 amino acids at site 96 to the stability and structure of T4 lysozyme.
Protein Sci., 18, 2009
5JGX
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BU of 5jgx by Molmil
Spin-Labeled T4 Lysozyme Construct V131V1
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 (1.533 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
5JGN
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BU of 5jgn by Molmil
Spin-Labeled T4 Lysozyme Construct I9V1
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 (1.534 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
5JGZ
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BU of 5jgz by Molmil
Spin-Labeled T4 Lysozyme Construct T151V1
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 (1.534 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
1P6Y
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BU of 1p6y by Molmil
T4 LYSOZYME CORE REPACKING MUTANT M120Y/TA
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-04-30
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
4EKQ
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BU of 4ekq by Molmil
T4 Lysozyme L99A/M102H with 4-Nitrophenol Bound
分子名称: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
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 (1.54 Å)
主引用文献Engineering a model protein cavity to catalyze the Kemp elimination.
Proc.Natl.Acad.Sci.USA, 109, 2012
5KI8
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BU of 5ki8 by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y88PHE-BR
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2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
6WSK
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BU of 6wsk by Molmil
Crystal Structure of the Cannabinoid Receptor 1 Interacting Protein 1a (CRIP1a)
分子名称: Endolysin,CB1 cannabinoid receptor-interacting protein 1 fusion
著者Booth, W.T, Howlett, A.C, Lowther, W.T.
登録日2020-05-01
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Cannabinoid receptor interacting protein 1a interacts with myristoylated G alpha i N terminus via a unique gapped beta-barrel structure.
J.Biol.Chem., 297, 2021
1P3N
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BU of 1p3n by Molmil
CORE REDESIGN BACK-REVERTANT I103V/CORE10
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-04-17
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1XEP
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BU of 1xep by Molmil
Catechol in complex with T4 lysozyme L99A/M102Q
分子名称: BETA-MERCAPTOETHANOL, CATECHOL, Lysozyme, ...
著者Graves, A.P, Brenk, R, Shoichet, B.K.
登録日2004-09-10
公開日2005-05-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Decoys for docking.
J.Med.Chem., 48, 2005
4I7T
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BU of 4i7t by Molmil
T4 Lysozyme L99A/M102H with 2-bromo-5-hydroxybenzaldehyde bound
分子名称: 2-HYDROXYETHYL DISULFIDE, 2-bromo-5-hydroxybenzaldehyde, 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 (1.55 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
2OU9
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BU of 2ou9 by Molmil
Structure of Spin-labeled T4 Lysozyme Mutant T115R1/R119A
分子名称: Lysozyme, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate
著者Guo, Z, Cascio, D, Hideg, K, Hubbell, W.L.
登録日2007-02-09
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural determinants of nitroxide motion in spin-labeled proteins: Tertiary contact and solvent-inaccessible sites in helix G of T4 lysozyme.
Protein Sci., 16, 2007
2RBS
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BU of 2rbs by Molmil
(r)(+)-3-chloro-1-phenyl-1-propanol in complex with T4 lysozyme L99A/M102Q
分子名称: (1R)-3-chloro-1-phenylpropan-1-ol, 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 (1.557 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
4W53
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BU of 4w53 by Molmil
T4 Lysozyme L99A with Toluene Bound
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, TOLUENE
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 (1.56 Å)
主引用文献Homologous ligands accommodated by discrete conformations of a buried cavity.
Proc.Natl.Acad.Sci.USA, 112, 2015
5KII
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BU of 5kii by Molmil
PSEUDO T4 LYSOZYME MUTANT - Y88PHE-METHYL
分子名称: 2-HYDROXYETHYL DISULFIDE, Endolysin, PHOSPHATE 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 (1.56 Å)
主引用文献Structure-Energy Relationships of Halogen Bonds in Proteins.
Biochemistry, 56, 2017
1P37
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BU of 1p37 by Molmil
T4 LYSOZYME CORE REPACKING BACK-REVERTANT L102M/CORE10
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-04-16
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1PQI
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BU of 1pqi by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I118L/CORE7/TA
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-06-18
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1P2L
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BU of 1p2l by Molmil
T4 Lysozyme Core Repacking Mutant V87I/TA
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-04-15
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
4I7N
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BU of 4i7n by Molmil
T4 Lysozyme L99A/M102H with 1-phenyl-2-propyn-1-ol bound
分子名称: (1R)-1-phenylprop-2-yn-1-ol, 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 (1.58 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
4I7Q
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BU of 4i7q by Molmil
T4 Lysozyme L99A/M102H with 4-trifluoromethylimidazole bound
分子名称: 2-HYDROXYETHYL DISULFIDE, 5-(trifluoromethyl)-1H-imidazole, 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 (1.58 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
1P2R
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BU of 1p2r by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I78V/TA
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
著者Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
登録日2003-04-15
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
3HT6
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BU of 3ht6 by Molmil
2-methylphenol in complex with T4 lysozyme L99A/M102Q
分子名称: Lysozyme, PHOSPHATE ION, o-cresol
著者Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K.
登録日2009-06-11
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.59 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

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