5MNR
 
 | | Thermolysin in complex with inhibitor JC256 | | 分子名称: | (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.249 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N3Y
 | | Thermolysin in complex with inhibitor JC267 | | 分子名称: | (2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-09 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.339 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N2X
 | | Thermolysin in complex with inhibitor JC272 | | 分子名称: | (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.209 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N2T
 | | Thermolysin in complex with inhibitor JC287 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, Thermolysin, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.379 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N34
 | | Thermolysin in complex with inhibitor JC276 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N2Z
 | | Thermolysin in complex with inhibitor JC286 | | 分子名称: | CALCIUM ION, DIMETHYL SULFOXIDE, Thermolysin, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N31
 | | Thermolysin in complex with inhibitor JC277 | | 分子名称: | (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-08 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.368 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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5N3V
 | | Thermolysin in complex with inhibitor JC292 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Cramer, J, Krimmer, S.G, Heine, A, Klebe, G. | | 登録日 | 2017-02-09 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
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