4MKA
| Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 13 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide, ... | 著者 | Harris, S.F, Wong, A. | 登録日 | 2013-09-04 | 公開日 | 2013-10-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
|
|
4MK7
| |
4MKB
| |
4MK9
| Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | 分子名称: | GLYCEROL, N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | 著者 | Harris, S.F, Wong, A. | 登録日 | 2013-09-04 | 公開日 | 2013-10-09 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B. J.Med.Chem., 56, 2013
|
|
4OBQ
| MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-01-07 | 公開日 | 2014-04-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
|
|
4OBP
| MAP4K4 in complex with inhibitor (compound 29), 6-(2-FLUOROPYRIDIN-4-YL)PYRIDO[3,2-D]PYRIMIDIN-4-AMINE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(2-fluoropyridin-4-yl)pyrido[3,2-d]pyrimidin-4-amine, MAGNESIUM ION, ... | 著者 | Harris, S.F, Wu, P. | 登録日 | 2014-01-07 | 公開日 | 2014-04-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
|
|
4OBO
| MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ... | 著者 | Harris, S.F, Wu, P, Coons, M. | 登録日 | 2014-01-07 | 公開日 | 2014-04-23 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization. J.Med.Chem., 57, 2014
|
|
3E01
| |
3DYA
| |
3G86
| Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor | 分子名称: | N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase | 著者 | Harris, S.F, Ghate, M. | 登録日 | 2009-02-11 | 公開日 | 2009-09-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones Bioorg.Med.Chem.Lett., 19, 2009
|
|
3FQL
| Hepatitis C virus polymerase NS5B (CON1 1-570) with HCV-796 inhibitor | 分子名称: | 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, GLYCEROL, RNA-directed RNA polymerase | 著者 | Harris, S.F, Wong, A. | 登録日 | 2009-01-07 | 公開日 | 2009-02-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Slow binding inhibition and mechanism of resistance of non-nucleoside polymerase inhibitors of hepatitis C virus. J.Biol.Chem., 284, 2009
|
|
3FQK
| Hepatitis C virus polymerase NS5B (BK 1-570) with HCV-796 inhibitor | 分子名称: | 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase | 著者 | Harris, S.F, Wong, A. | 登録日 | 2009-01-07 | 公開日 | 2009-02-24 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Slow binding inhibition and mechanism of resistance of non-nucleoside polymerase inhibitors of hepatitis C virus. J.Biol.Chem., 284, 2009
|
|
3MF5
| |
3DI6
| |
3M8Q
| HIV-1 RT with AMINOPYRIMIDINE NNRTI | 分子名称: | 3,5-dimethyl-4-{[2-({1-[4-(methylsulfonyl)benzyl]piperidin-4-yl}amino)pyrimidin-4-yl]oxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Harris, S.F, Villasenor, A. | 登録日 | 2010-03-18 | 公開日 | 2010-05-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3NBP
| HIV-1 reverse transcriptase with aminopyrimidine inhibitor 2 | 分子名称: | 4-(4-{[4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzenesulfonamide, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ... | 著者 | Harris, S.F, Villasenor, A.G. | 登録日 | 2010-06-03 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3M8P
| HIV-1 RT with NNRTI TMC-125 | 分子名称: | 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Harris, S.F, Villasenor, A. | 登録日 | 2010-03-18 | 公開日 | 2010-05-19 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. Bioorg.Med.Chem.Lett., 20, 2010
|
|
3FFI
| HIV-1 RT with pyridone non-nucleoside inhibitor | 分子名称: | 3-chloro-5-({6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-3-(dimethylamino)-2-oxo-1,2-dihydropyridin-4-yl}oxy)benzonitrile, RT p51, Reverse transcriptase/ribonuclease H | 著者 | Harris, S.F, Villasenor, A. | 登録日 | 2008-12-03 | 公開日 | 2009-12-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Pyridone Diaryl Ether Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase To be Published
|
|
7S26
| ROCK1 IN COMPLEX WITH LIGAND G5018 | 分子名称: | 2-[methyl(phenyl)amino]-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethan-1-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Rho-associated protein kinase 1 | 著者 | Ganichkin, O, Harris, S.F, Steinbacher, S. | 登録日 | 2021-09-03 | 公開日 | 2022-10-05 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.744 Å) | 主引用文献 | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13, 2022
|
|
7S25
| ROCK1 IN COMPLEX WITH LIGAND G4998 | 分子名称: | 2-[3-(methoxymethyl)phenyl]-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide, CHLORIDE ION, Rho-associated protein kinase 1 | 著者 | Ganichkin, O, Harris, S.F, Steinbacher, S. | 登録日 | 2021-09-03 | 公開日 | 2022-10-05 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.337 Å) | 主引用文献 | Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors. Nat Commun, 13, 2022
|
|
8T48
| |
5ML9
| Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer F4, a specific binding protein which blocks IgG binding to the receptor. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer F4 with specificity for Fc gamma receptor IIIa, CHLORIDE ION, ... | 著者 | Robinson, J.I, Tomlinson, D.C, Baxter, E.W, Owen, R.L, Thomsen, M, Win, S.J, Nettleship, J.E, Tiede, C, Foster, R.J, Waterhouse, M.P, Harris, S.A, Owens, R.J, Fishwick, C.W.G, Goldman, A, McPherson, M.J, Morgan, A.W. | 登録日 | 2016-12-06 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
5MN2
| Cocrystal structure of Fc gamma receptor IIIa interacting with Affimer G3, a specific binding protein which blocks IgG binding to the receptor. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Affimer G3, DI(HYDROXYETHYL)ETHER, ... | 著者 | Robinson, J.I, Owen, R.L, Tomlinson, D.C, Baxter, E.W, Nettleship, J.E, Waterhouse, M.P, Harris, S.A, Owens, R.J, McPherson, M.J, Morgan, A.W, Tiede, C, Goldman, A, Thomsen, M. | 登録日 | 2016-12-12 | 公開日 | 2017-12-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Affimer proteins inhibit immune complex binding to Fc gamma RIIIa with high specificity through competitive and allosteric modes of action. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6VMK
| |
2N5G
| NMR structure of KorA, a plasmid-encoded, global transcription regulator KorA | 分子名称: | TrfB transcriptional repressor protein | 著者 | Rajasekar, K.V, Lovering, A.L, Dancea, F.V, Scott, D.J, Harris, S, Bingle, L.E, Roessle, M, Thomas, C.M, Hyde, E.I, White, S.A. | 登録日 | 2015-07-17 | 公開日 | 2016-07-20 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Flexibility of KorA, a plasmid-encoded, global transcription regulator, in the presence and the absence of its operator. Nucleic Acids Res., 44, 2016
|
|