タイトル | Identification of Structure-Kinetic and Structure-Thermodynamic Relationships for Thrombin Inhibitors. |
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ジャーナル・号・ページ | Biochemistry, Vol. 52, Page 613-, Year 2013 |
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掲載日 | 2012年9月14日 (構造データの登録日) |
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著者 | Winquist, J. / Geschwindner, S. / Xue, Y. / Gustavsson, L. / Musil, D. / Deinum, J. / Danielson, U.H. |
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リンク | Biochemistry / PubMed:23290007 |
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手法 | X線回折 |
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解像度 | 1.87 - 1.94 Å |
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構造データ | PDB-4bah: Thrombin in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-4bak: Thrombin in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-4bam: Thrombin in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.88 Å PDB-4ban: Thrombin in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-4bao: Thrombin in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å PDB-4baq: Thrombin in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å |
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化合物 | ChemComp-MEL: [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID / メラガトラン
ChemComp-M67: (2S)-N-(4-CARBAMIMIDOYLBENZYL)-1-[(2R)-2-CYCLOHEXYL-2-{[2-OXO-2-(PROPYLAMINO)ETHYL]AMINO}ACETYL]AZETIDINE-2-CARBOXAMIDE
ChemComp-MM9: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(dimethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
ChemComp-M6S: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
ChemComp-MVF: (2S)-1-[(2R)-2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-cyclohexyl-ethanoyl]-N-[(4-carbamimidoylphenyl)methyl]azetidine-2-carboxamide
ChemComp-M4Z: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-2-cyclohexyl-2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]ethanoyl]azetidine-2-carboxamide
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由来 | - homo sapiens (ヒト)
- hirudo medicinalis (医用ビル)
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キーワード | HYDROLASE / SERINE PROTEASE / THROMBIN INHIBITOR |
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