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PDB: 38 件
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
2OTY
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BU of 2oty by Molmil
1,2-dichlorobenzene in complex with T4 Lysozyme L99A
分子名称: 1,2-DICHLOROBENZENE, BETA-MERCAPTOETHANOL, Lysozyme, ...
著者Graves, A.P, Shoichet, B.K.
登録日2007-02-09
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
2OU0
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BU of 2ou0 by Molmil
1-methylpyrrole in complex with T4 Lysozyme L99A
分子名称: 1-METHYL-1H-PYRROLE, Lysozyme, PHOSPHATE ION
著者Graves, A.P, Shoichet, B.K.
登録日2007-02-09
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
2OTZ
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BU of 2otz by Molmil
N-methylaniline in complex with T4 Lysozyme L99A
分子名称: Lysozyme, N-METHYLANILINE, PHOSPHATE ION
著者Graves, A.P, Shoichet, B.K.
登録日2007-02-09
公開日2007-08-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
2RAZ
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BU of 2raz by Molmil
4-(methylthio)nitrobenzene in complex with T4 lysozyme L99A
分子名称: 1-(methylsulfanyl)-4-nitrobenzene, 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2023-08-30
実験手法X-RAY DIFFRACTION (1.641 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
2RC2
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BU of 2rc2 by Molmil
Cytochrome C Peroxidase W191G in complex with 1-methyl-2-vinyl-pyridinium
分子名称: 2-ethenyl-1-methylpyridinium, Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
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 (1.5 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RB0
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BU of 2rb0 by Molmil
2,6-difluorobenzylbromide complex with T4 lysozyme L99A
分子名称: 2-(bromomethyl)-1,3-difluorobenzene, 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2023-08-30
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBY
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BU of 2rby by Molmil
1-methyl-5-imidazolecarboxaldehyde in complex with Cytochrome C Peroxidase W191G
分子名称: 1-methyl-1H-imidazole-5-carbaldehyde, Cytochrome C Peroxidase, 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 (1.5 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBQ
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BU of 2rbq by Molmil
3-methylbenzylazide in complex with T4 L99A/M102Q
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2007-09-19
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.633 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBO
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BU of 2rbo by Molmil
2-nitrothiophene in complex with T4 lysozyme L99A/M102Q
分子名称: 2-nitrothiophene, 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 (1.29 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RC1
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BU of 2rc1 by Molmil
Cytochrome C Peroxidase W191G in complex with 2,4,5-trimethyl-3-oxazoline
分子名称: (2R,4R,5R)-2,4,5-trimethyl-1,3-oxazolidine, Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-19
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBW
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BU of 2rbw by Molmil
Cytochrome C Peroxidase W191G in complex with 1,2-dimethyl-1h-pyridin-5-amine
分子名称: 5-amino-1,2-dimethylpyridinium, Cytochrome C Peroxidase, 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 (1.5 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBN
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BU of 2rbn by Molmil
N-phenylglycinonitrile in complex with T4 lysozyme L99A/M102Q
分子名称: (phenylamino)acetonitrile, 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 (1.29 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBZ
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BU of 2rbz by Molmil
Cytochrome C Peroxidase W191G in complex 3-methoxypyridine
分子名称: 3-methoxypyridine, Cytochrome C Peroxidase, 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 (1.8 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBR
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BU of 2rbr by Molmil
2-phenoxyethanol in complex with T4 lysozyme L99A/M102Q
分子名称: 2-phenoxyethanol, 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 (1.433 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
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
2RBV
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BU of 2rbv by Molmil
Cytochrome C Peroxidase in complex with (1-methyl-1h-pyrrol-2-yl)-methylamine
分子名称: 1-(1-methyl-1H-pyrrol-2-yl)methanamine, Cytochrome C Peroxidase, 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 (1.39 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
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
2RAY
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BU of 2ray by Molmil
beta-chlorophenetole in complex with T4 lysozyme L99A
分子名称: (2-chloroethoxy)benzene, 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2023-08-30
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBU
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BU of 2rbu by Molmil
Cytochrome C Peroxidase in complex with cyclopentane-carboximidamide
分子名称: Cytochrome C Peroxidase, PROTOPORPHYRIN IX CONTAINING FE, cyclopentanecarboximidamide
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 (1.8 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RB1
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BU of 2rb1 by Molmil
2-ethoxyphenol in complex with T4 lysozyme L99A
分子名称: 2-ethoxyphenol, Lysozyme, PHOSPHATE ION
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-17
公開日2008-06-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing
J.Mol.Biol., 377, 2008
2RBT
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BU of 2rbt by Molmil
n-methylbenzylamine in complex with Cytochrome C Peroxidase W191G
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Cytochrome C Peroxidase, N-methyl-1-phenylmethanamine, ...
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-19
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RC0
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BU of 2rc0 by Molmil
Cytochrome C Peroxidase W191G in complex with 2-imino-4-methylpiperdine
分子名称: (4S)-4-methyl-1,4,5,6-tetrahydropyridin-2-amine, Cytochrome C Peroxidase, 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 (1.5 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008
2RBX
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BU of 2rbx by Molmil
Cytochrome C Peroxidase W191G in complex with pyrimidine-2,4,6-triamine.
分子名称: Cytochrome C Peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Graves, A.P, Boyce, S.E, Shoichet, B.K.
登録日2007-09-19
公開日2008-04-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008

 

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