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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
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
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
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
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
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
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
4JMW
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BU of 4jmw by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with Phenol
分子名称: Cytochrome c peroxidase, PHENOL, PROTOPORPHYRIN IX CONTAINING FE
著者Fischer, M, Fish, I.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
4JMT
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BU of 4jmt by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 1H-pyrrolo[3,2-b]pyridin-6-ylmethanol
分子名称: 1H-pyrrolo[3,2-b]pyridin-6-ylmethanol, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JN0
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BU of 4jn0 by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde
分子名称: 1H-pyrrolo[3,2-b]pyridine-6-carbaldehyde, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.864 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JMS
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BU of 4jms by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-5-amine
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-5-amine
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JMB
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BU of 4jmb by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine, Cytochrome c peroxidase, ...
著者Barelier, S, Fischer, M.
登録日2013-03-13
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
4JMZ
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BU of 4jmz by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with N-methyl-1H-benzimidazol-2-amine
分子名称: Cytochrome c peroxidase, N-methyl-1H-benzimidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities.
Plos One, 8, 2013
4JMV
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BU of 4jmv by Molmil
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with imidazo[1,2-a]pyridin-6-amine
分子名称: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, imidazo[1,2-a]pyridin-6-amine
著者Barelier, S, Fischer, M.
登録日2013-03-14
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Docking to a water-filled model binding site in Cytochrome c Peroxidase
To be published
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