4JU1
 
 | | Crystal structure of hcv ns5b polymerase in complex with compound 6 | | 分子名称: | 6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one, GLYCEROL, Genome polyprotein, ... | | 著者 | Coulombe, R. | | 登録日 | 2013-03-24 | | 公開日 | 2013-07-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency.
J.Med.Chem., 57, 2014
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4JU3
 | | Crystal structure of hcv ns5b polymerase in complex with compound 8 | | 分子名称: | 5-(4-carboxyphenoxy)-2-{[(4-methylphenyl)sulfonyl]amino}benzoic acid, Genome polyprotein, MAGNESIUM ION | | 著者 | Coulombe, R. | | 登録日 | 2013-03-24 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay.
Bioorg.Med.Chem.Lett., 23, 2013
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4JTZ
 | | Crystal structure of hcv ns5b polymerase in complex with compound 4 | | 分子名称: | 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-N-(pyridin-3-yl)-2-(trifluoromethyl)benzamide, GLYCEROL, Genome polyprotein, ... | | 著者 | Coulombe, R. | | 登録日 | 2013-03-24 | | 公開日 | 2013-07-03 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency.
J.Med.Chem., 57, 2014
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4KV8
 | | Crystal structure of HIV RT in complex with BILR0355BS | | 分子名称: | 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one, HIV Reverse transcriptase P51, HIV Reverse transcriptase P66, ... | | 著者 | Coulombe, R. | | 登録日 | 2013-05-22 | | 公開日 | 2013-07-31 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | N- versus O-alkylation: Utilizing NMR methods to establish reliable primary structure determinations for drug discovery.
Bioorg.Med.Chem.Lett., 23, 2013
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1DOS
 | | STRUCTURE OF FRUCTOSE-BISPHOSPHATE ALDOLASE | | 分子名称: | ALDOLASE CLASS II, AMMONIUM ION, ZINC ION | | 著者 | Blom, N, Tetreault, S, Coulombe, R, Sygusch, J. | | 登録日 | 1996-06-24 | | 公開日 | 1997-07-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Novel active site in Escherichia coli fructose 1,6-bisphosphate aldolase.
Nat.Struct.Biol., 3, 1996
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1EZ0
 | | CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI. | | 分子名称: | ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A. | | 登録日 | 2000-05-09 | | 公開日 | 2000-05-24 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity.
Biochem.J., 349, 2000
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1MIR
 | | RAT PROCATHEPSIN B | | 分子名称: | PROCATHEPSIN B | | 著者 | Cygler, M, Sivaraman, J, Grochulski, P, Coulombe, R, Storer, A.C, Mort, J.S. | | 登録日 | 1996-01-12 | | 公開日 | 1997-01-11 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure of rat procathepsin B: model for inhibition of cysteine protease activity by the proregion.
Structure, 4, 1996
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1EYY
 | | CRYSTAL STRUCTURE OF THE NADP+ DEPENDENT ALDEHYDE DEHYDROGENASE FROM VIBRIO HARVEYI. | | 分子名称: | ALDEHYDE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Ahvazi, B, Coulombe, R, Delarge, M, Vedadi, M, Zhang, L, Meighen, E, Vrielink, A. | | 登録日 | 2000-05-09 | | 公開日 | 2000-05-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of the NADP+-dependent aldehyde dehydrogenase from Vibrio harveyi: structural implications for cofactor specificity and affinity.
Biochem.J., 349, 2000
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1F8R
 | | CRYSTAL STRUCTURE OF L-AMINO ACID OXIDASE FROM CALLOSELASMA RHODOSTOMA COMPLEXED WITH CITRATE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... | | 著者 | Pawelek, P.D, Cheah, J, Coulombe, R, Macheroux, P, Ghisla, S, Vrielink, A. | | 登録日 | 2000-07-04 | | 公開日 | 2000-08-24 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structure of L-amino acid oxidase reveals the substrate trajectory into an enantiomerically conserved active site.
EMBO J., 19, 2000
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1F8S
 | | CRYSTAL STRUCTURE OF L-AMINO ACID OXIDASE FROM CALLOSELASMA RHODOSTOMA, COMPLEXED WITH THREE MOLECULES OF O-AMINOBENZOATE. | | 分子名称: | 2-AMINOBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Pawelek, P.D, Cheah, J, Coulombe, R, Macheroux, P, Ghisla, S, Vrielink, A. | | 登録日 | 2000-07-04 | | 公開日 | 2000-08-24 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The structure of L-amino acid oxidase reveals the substrate trajectory into an enantiomerically conserved active site.
EMBO J., 19, 2000
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1R6K
 | | HPV11 E2 TAD crystal structure | | 分子名称: | HPV11 REGULATORY PROTEIN E2 | | 著者 | Wang, Y, Coulombe, R. | | 登録日 | 2003-10-15 | | 公開日 | 2004-02-24 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of the E2 Transactivation Domain of Human Papillomavirus Type 11 Bound to a Protein Interaction Inhibitor
J.Biol.Chem., 279, 2004
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1R6N
 | | HPV11 E2 TAD complex crystal structure | | 分子名称: | 2-METHYL-PROPIONIC ACID, DIMETHYL SULFOXIDE, HPV11 REGULATORY PROTEIN E2, ... | | 著者 | Wang, Y, Coulombe, R. | | 登録日 | 2003-10-15 | | 公開日 | 2004-02-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of the E2 Transactivation Domain of Human
Papillomavirus Type 11 Bound to a Protein Interaction Inhibitor
J.Biol.Chem., 279, 2004
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8T5G
 | | SOS2 co-crystal structure with fragment bound (compound 12) | | 分子名称: | DIMETHYL SULFOXIDE, SULFATE ION, Son of sevenless homolog 2, ... | | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | | 登録日 | 2023-06-13 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
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8T5M
 | | SOS2 crystal structure with fragment bound (compound 14) | | 分子名称: | 1,2-ETHANEDIOL, 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol, SULFATE ION, ... | | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | | 登録日 | 2023-06-14 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
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8T5R
 | | SOS2 crystal structure with fragment bound (compound 13) | | 分子名称: | 4-(aminomethyl)benzene-1-sulfonamide, SULFATE ION, Son of sevenless homolog 2 | | 著者 | Gunn, R.J, Lawson, J.D, Ivetac, A, Ulaganathan, T, Coulombe, R, Fethiere, J. | | 登録日 | 2023-06-14 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Discovery of Five SOS2 Fragment Hits with Binding Modes Determined by SOS2 X-Ray Cocrystallography.
J.Med.Chem., 67, 2024
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8UC9
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8UH0
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8UF2
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4E91
 | | Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BD3 | | 分子名称: | (3S)-1-ethyl-3-[3-hydroxy-5-(pyridin-3-yl)phenyl]-5-phenyl-7-(trifluoromethyl)-1H-1,5-benzodiazepine-2,4(3H,5H)-dione, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein, ... | | 著者 | Lemke, C.T. | | 登録日 | 2012-03-20 | | 公開日 | 2012-04-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein.
J.Virol., 86, 2012
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4E92
 | | Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4 | | 分子名称: | 3-{5-[3-ethyl-5-(5-methylfuran-2-yl)-1H-pyrazol-1-yl]-1-[(6-oxo-1,6-dihydropyridin-3-yl)methyl]-1H-benzimidazol-2-yl}-4-hydroxybenzoic acid, 4-{2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1-[3-(1H-imidazol-1-yl)propyl]-1H-benzimidazol-5-yl}benzoic acid, Gag protein | | 著者 | Lemke, C.T. | | 登録日 | 2012-03-20 | | 公開日 | 2012-04-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Distinct Effects of Two HIV-1 Capsid Assembly Inhibitor Families That Bind the Same Site within the N-Terminal Domain of the Viral CA Protein.
J.Virol., 86, 2012
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4OK6
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4OK3
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4OK5
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4OJQ
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4OKS
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