1V2K
| Factor XA specific Inhibitor in complex with bovine trypsin variant X(triple.Glu)bT.D2 | 分子名称: | CALCIUM ION, SULFATE ION, Trypsin, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2Q
| Trypsin inhibitor in complex with bovine trypsin variant X(SSWI)bT.B4 | 分子名称: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2V
| Benzamidine in complex with bovine trypsin variant X(SSAI)bT.C1 | 分子名称: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2N
| Potent factor XA inhibitor in complex with bovine trypsin variant X(99/175/190)bT | 分子名称: | 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE, CALCIUM ION, Trypsin | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2T
| Trypsin inhibitor in complex with bovine trypsin variant X(SSFI.Glu)bT.B4 | 分子名称: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2M
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1V2U
| Benzamidine in complex with bovine trypsin varinat X(SSAI)bT.D1 | 分子名称: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2L
| Benzamidine in complex with bovine trypsin variant X(triple.Glu)bT.D1 | 分子名称: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2P
| Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.A4 | 分子名称: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2W
| Trypsin inhibitor in complex with bovine trypsin variant X(SSAI)bT.B4 | 分子名称: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2R
| Trypsin inhibitor in complex with bovine trypsin variant X(SSRI)bT.B4 | 分子名称: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2S
| Benzamidine in complex with bovine trypsin variant X(SSFI.Glu)bT.D1 | 分子名称: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2J
| BENZAMIDINE IN COMPLEX WITH BOVINE TRYPSIN VARIANT X(SSRI)bT.C1 | 分子名称: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1V2O
| Trypsin inhibitor in complex with bovine trypsin variant X(SSYI)bT.B4 | 分子名称: | CALCIUM ION, METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE, SULFATE ION, ... | 著者 | Rauh, D, Klebe, G, Stubbs, M.T. | 登録日 | 2003-10-17 | 公開日 | 2004-06-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Understanding protein-ligand interactions: the price of protein flexibility J.Mol.Biol., 335, 2004
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1WMA
| Crystal structure of human CBR1 in complex with Hydroxy-PP | 分子名称: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, ... | 著者 | Rauh, D, Bateman, R, Shokat, K.M. | 登録日 | 2004-07-06 | 公開日 | 2005-04-26 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | An unbiased cell morphology-based screen for new, biologically active small molecules Plos Biol., 3, 2005
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2PFG
| Crystal structure of human CBR1 in complex with BiGF2. | 分子名称: | (5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-10-CARBOXYLIC ACID, CHLORIDE ION, Carbonyl reductase [NADPH] 1, ... | 著者 | Rauh, D, Bateman, R.L, Shokat, K.M. | 登録日 | 2007-04-04 | 公開日 | 2007-09-25 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Glutathione traps formaldehyde by formation of a bicyclo[4.4.1]undecane adduct. Org.Biomol.Chem., 5, 2007
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3BHI
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3BHJ
| Crystal structure of human Carbonyl Reductase 1 in complex with glutathione | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 3-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)PHENOL, Carbonyl reductase [NADPH] 1, ... | 著者 | Rauh, D, Bateman, R.L, Shokat, K.M. | 登録日 | 2007-11-28 | 公開日 | 2008-10-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Human carbonyl reductase 1 is an s-nitrosoglutathione reductase J.Biol.Chem., 283, 2008
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2HWO
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2HWP
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5J9Z
| EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | 分子名称: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | 著者 | Becker, C, Engel, J, Rauh, D. | 登録日 | 2016-04-11 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
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5J9Y
| EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | 分子名称: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | 著者 | Becker, C, Engel, J, Rauh, D. | 登録日 | 2016-04-11 | 公開日 | 2016-08-17 | 最終更新日 | 2016-09-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR. Angew.Chem.Int.Ed.Engl., 55, 2016
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3L8S
| Human p38 MAP Kinase in Complex with CP-547632 | 分子名称: | 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Gruetter, C, Simard, J.R, Rauh, D. | 登録日 | 2010-01-03 | 公開日 | 2010-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations. J.Am.Chem.Soc., 132, 2010
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7OK3
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7OK4
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