3PM3
 
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-16 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3Q00
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | 分子名称: | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-12-15 | | 公開日 | 2011-12-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLB
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLP
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PLK
 | | Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Braeuer, U, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-11-15 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3PWB
 | | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2010-12-08 | | 公開日 | 2011-12-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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1DWB
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1DWD
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1DWE
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1DWC
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3UWI
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-12-02 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UQV
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-21 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UPE
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-18 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UY9
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | 分子名称: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-12-06 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UQO
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-21 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3V12
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-12-09 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3UNQ
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-16 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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|
3UUZ
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-29 | | 公開日 | 2012-12-05 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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|
3UNS
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-16 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
|
|
3UOP
 | | Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor | | 分子名称: | CALCIUM ION, CHLORIDE ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-11-17 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
|
|
3V13
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | 分子名称: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-12-09 | | 公開日 | 2012-12-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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1TFX
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