タイトル | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin. |
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ジャーナル・号・ページ | J. Mol. Biol., Vol. 418, Page 350-366, Year 2012 |
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掲載日 | 2010年9月30日 (構造データの登録日) |
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著者 | Biela, A. / Khayat, M. / Tan, H. / Kong, J. / Heine, A. / Hangauer, D. / Klebe, G. |
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リンク | J. Mol. Biol. / PubMed:22366545 |
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手法 | X線回折 |
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解像度 | 1.27 - 1.9 Å |
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構造データ | PDB-3p17: Thrombin Inhibition by Pyridin Derivatives 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-3qto: Thrombin Inhibition by Pyridin Derivatives 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-3qtv: Thrombin Inhibition by Pyridin Derivatives 手法: X-RAY DIFFRACTION / 解像度: 1.63 Å PDB-3qwc: Thrombin Inhibition by Pyridin Derivatives 手法: X-RAY DIFFRACTION / 解像度: 1.75 Å PDB-3qx5: Thrombin Inhibition by Pyridin Derivatives 手法: X-RAY DIFFRACTION / 解像度: 1.35 Å PDB-3sha: Human Thrombin In Complex With UBTHR97 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-3shc: Human Thrombin In Complex With UBTHR101 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-3si3: Human Thrombin In Complex With UBTHR103 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-3si4: Human Thrombin In Complex With UBTHR104 手法: X-RAY DIFFRACTION / 解像度: 1.27 Å PDB-3sv2: Human Thrombin In Complex With UBTHR105 手法: X-RAY DIFFRACTION / 解像度: 1.3 Å |
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化合物 | ChemComp-99P: D-phenylalanyl-N-(pyridin-3-ylmethyl)-L-prolinamide
ChemComp-10P: D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide
ChemComp-06P: D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide
ChemComp-98P: D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide
ChemComp-02P: D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-2-yl)methyl]-L-prolinamide
ChemComp-P97: D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide
ChemComp-B01: D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide
ChemComp-B03: D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide
ChemComp-B04: D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide
ChemComp-P05: D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide
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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/HYDROLASE INHIBITOR / Serine Protease / Kringle / Disulfide Bonds / Blood Coagulation / Blood Clotting / Convertion of Fibrinogen to Fibrin / Cleavage on Pairs of Basic Residues / Thrombin Inhibitor / Glycosylation / HYDROLASE-HYDROLASE INHIBITOR complex / Hydrolase / Blood Clotting Inhibitor / Blood / Hirudin |
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