1OVH
 
 | | T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Chloro-6-Methyl-Aniline | | 分子名称: | 2-CHLORO-6-METHYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | 登録日 | 2003-03-26 | | 公開日 | 2004-04-06 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
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1OWY
 | | T4 Lysozyme Cavity Mutant L99A/M102Q Bound With 2-Propyl-Aniline | | 分子名称: | 2-PROPYL-ANILINE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | 登録日 | 2003-03-31 | | 公開日 | 2004-04-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
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1OV5
 | | T4 Lysozyme Cavity Mutant L99a/M102Q Bound With 2-Allylphenol | | 分子名称: | 2-ALLYLPHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | 登録日 | 2003-03-25 | | 公開日 | 2004-04-06 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
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1OV7
 | | T4 Lysozyme Cavity Mutant L99A/M102Q Bound with 2-Allyl-6-Methyl-Phenol | | 分子名称: | 2-ALLYL-6-METHYL-PHENOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | 著者 | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | | 登録日 | 2003-03-25 | | 公開日 | 2004-04-06 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Testing a Flexible-receptor Docking Algorithm in a Model Binding Site
J.Mol.Biol., 337, 2004
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2OTY
 | | 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
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2OU0
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2OTZ
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2P9V
 | | Structure of AmpC beta-lactamase with cross-linked active site after exposure to small molecule inhibitor | | 分子名称: | Beta-lactamase, PHOSPHATE ION | | 著者 | Babaoglu, K, Wyrembak, P.N, Pelto, R.B, Shoichet, B.K, Pratt, R.F. | | 登録日 | 2007-03-26 | | 公開日 | 2007-08-14 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | O-Aryloxycarbonyl Hydroxamates: New beta-Lactamase Inhibitors That Cross-Link the Active Site.
J.Am.Chem.Soc., 129, 2007
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2P74
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2PU4
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2PLM
 | | Crystal structure of the protein TM0936 from Thermotoga maritima complexed with ZN and S-inosylhomocysteine | | 分子名称: | (2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID, Uncharacterized protein, ZINC ION | | 著者 | Fedorov, A.A, Fedorov, E.V, Hermann, J.C, Marti-Arbona, R, Shoichet, B.K, Raushel, F.M, Almo, S.C. | | 登録日 | 2007-04-20 | | 公開日 | 2007-07-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based activity prediction for an enzyme of unknown function
Nature, 448, 2007
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2PU2
 | | AmpC beta-lactamase with bound Phthalamide inhibitor | | 分子名称: | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION | | 著者 | Babaoglu, K, Shoichet, B.K. | | 登録日 | 2007-05-08 | | 公開日 | 2008-04-15 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
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2RB2
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2RBV
 | | 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
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2RBR
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2RBS
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2RAZ
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2RBP
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2RC2
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2RBY
 | | 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
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2RB0
 | | 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
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2RBQ
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2RBO
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2RC1
 | | 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
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2R9X
 | | AmpC beta-lactamase with bound Phthalamide inhibitor | | 分子名称: | 2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ... | | 著者 | Babaoglu, K, Shoichet, B.K. | | 登録日 | 2007-09-13 | | 公開日 | 2008-04-15 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
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