3KMC
 
 | | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | | 分子名称: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | | 著者 | Orth, P. | | 登録日 | 2009-11-10 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
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3L0V
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3L0T
 | | Crystal structure of catalytic domain of TACE with hydantoin inhibitor | | 分子名称: | Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | 著者 | Orth, P. | | 登録日 | 2009-12-10 | | 公開日 | 2010-03-02 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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2O8M
 | | Crystal structure of the S139A mutant of Hepatitis C Virus NS3/4A protease | | 分子名称: | Protease, SODIUM ION, ZINC ION | | 著者 | Fischmann, T.O, Prongay, A.J, Madison, V.M, Yao, N. | | 登録日 | 2006-12-12 | | 公開日 | 2007-10-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization
J.Med.Chem., 50, 2007
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3LGP
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2R3J
 | | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | | 分子名称: | 3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 | | 著者 | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | | 登録日 | 2007-08-29 | | 公開日 | 2008-01-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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2R3H
 | | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | | 分子名称: | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine, Cell division protein kinase 2 | | 著者 | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | | 登録日 | 2007-08-29 | | 公開日 | 2008-01-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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2R3L
 | | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | | 分子名称: | 3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine, Cell division protein kinase 2 | | 著者 | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | | 登録日 | 2007-08-29 | | 公開日 | 2008-01-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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2R3O
 | | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | | 分子名称: | (5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol, Cell division protein kinase 2 | | 著者 | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | | 登録日 | 2007-08-29 | | 公開日 | 2008-01-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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2R3I
 | | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | | 分子名称: | 5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 | | 著者 | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | | 登録日 | 2007-08-29 | | 公開日 | 2008-01-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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2R3M
 | | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | | 分子名称: | Cell division protein kinase 2, N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine | | 著者 | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | | 登録日 | 2007-08-29 | | 公開日 | 2008-01-22 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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2R3F
 | | Crystal Structure of Cyclin-Dependent Kinase 2 with inhibitor | | 分子名称: | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine, Cell division protein kinase 2 | | 著者 | Fischmann, T.O, Hruza, A.W, Madison, V.M, Duca, J.S. | | 登録日 | 2007-08-29 | | 公開日 | 2008-01-22 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-guided discovery of cyclin-dependent kinase inhibitors.
Biopolymers, 89, 2008
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3OT3
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3OT8
 | | X-ray crystal structure of compound 17r bound to human Chk1 kinase domain | | 分子名称: | GLYCEROL, N-(3-methylisothiazol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine, Serine/threonine-protein kinase Chk1 | | 著者 | Fischmann, T.O. | | 登録日 | 2010-09-10 | | 公開日 | 2010-11-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6455 Å) | | 主引用文献 | Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: A template-based approach-Part 1.
Bioorg.Med.Chem.Lett., 21, 2011
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3KME
 | | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | | 分子名称: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | 著者 | Orth, P. | | 登録日 | 2009-11-10 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
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2DDF
 | | Crystal structure of TACE in complex with TAPI-2 | | 分子名称: | ADAM 17, CALCIUM ION, CITRIC ACID, ... | | 著者 | Orth, P. | | 登録日 | 2006-01-28 | | 公開日 | 2006-03-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Stabilization of the autoproteolysis of TNF-alpha converting enzyme (TACE) results in a novel crystal form suitable for structure-based drug design studies.
Protein Eng.Des.Sel., 19, 2006
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3E8R
 | | Crystal structure of catalytic domain of TACE with hydroxamate inhibitor | | 分子名称: | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-4-yl)methoxy]benzyl}cyclopropane-1,2-dicarboxamide, ADAM 17, CITRIC ACID, ... | | 著者 | Orth, P. | | 登録日 | 2008-08-20 | | 公開日 | 2008-10-21 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.
Bioorg.Med.Chem.Lett., 18, 2008
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3EWJ
 | | Crystal structure of catalytic domain of TACE with carboxylate inhibitor | | 分子名称: | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxylic acid, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | 著者 | Orth, P. | | 登録日 | 2008-10-15 | | 公開日 | 2008-11-18 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of novel spirocyclopropyl hydroxamate and carboxylate compounds as TACE inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3CTB
 | | Tethered PXR-LBD/SRC-1p apoprotein | | 分子名称: | Pregnane X receptor, Linker, Steroid receptor coactivator 1 | | 著者 | Lesburg, C.A. | | 登録日 | 2008-04-11 | | 公開日 | 2008-12-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Construction and characterization of a fully active PXR/SRC-1 tethered protein with increased stability
Protein Eng.Des.Sel., 21, 2008
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1R54
 | | Crystal structure of the catalytic domain of human ADAM33 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADAM 33, CALCIUM ION, ... | | 著者 | Orth, P, Reicher, P, Wang, W, Prosise, W.W, Yarosh-Tomaine, T, Hammond, G, Xiao, L, Mirza, U.A, Zou, J, Strickland, C, Taremi, S.S. | | 登録日 | 2003-10-09 | | 公開日 | 2004-10-12 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal structre of the catalytic domain of human ADAM33
J.Mol.Biol., 335, 2004
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