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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
1V2M
 | |
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
|
|
3BHI
 | |
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
|
|
2HWO
 | |
2HWP
 | |
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
|
|
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
|
|
3F3T
 | | Kinase domain of cSrc in complex with inhibitor RL38 (Type III) | | 分子名称: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Gruetter, C, Klueter, S, Getlik, M, Rauh, D. | | 登録日 | 2008-10-31 | | 公開日 | 2009-03-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A new screening assay for allosteric inhibitors of cSrc
Nat.Chem.Biol., 5, 2009
|
|
5D11
 | | Kinase domain of cSrc in complex with RL235 | | 分子名称: | GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Becker, C, Gruetter, C, Engel, J, Rauh, D. | | 登録日 | 2015-08-03 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
|
|
5D12
 | | Kinase domain of cSrc in complex with RL40 | | 分子名称: | N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | | 著者 | Becker, C, Richters, A, Engel, J, Rauh, D. | | 登録日 | 2015-08-03 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
|
|
4RVT
 | | MAP4K4 in complex with a pyridin-2(1H)-one derivative | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4 | | 著者 | Richters, A, Becker, C, Kleine, S, Rauh, D. | | 登録日 | 2014-11-27 | | 公開日 | 2015-05-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
7ZYN
 | | Crystal Structure of EGFR-T790M/C797S in Complex with WZ4002 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, N-{3-[(5-chloro-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | 著者 | Niggenaber, J, Kleinboelting, S, Mueller, M.P, Rauh, D. | | 登録日 | 2022-05-25 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Acs Med.Chem.Lett., 14, 2023
|
|
