1DK3
| REFINED SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA | 分子名称: | DNA POLYMERASE BETA | 著者 | Maciejewski, M.W, Prasad, R, Liu, D.-J, Wilson, S.H, Mullen, G.P. | 登録日 | 1999-12-06 | 公開日 | 2000-02-14 | 最終更新日 | 2022-02-16 | 実験手法 | SOLUTION NMR | 主引用文献 | Backbone dynamics and refined solution structure of the N-terminal domain of DNA polymerase beta. Correlation with DNA binding and dRP lyase activity. J.Mol.Biol., 296, 2000
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1DK2
| REFINED SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF DNA POLYMERASE BETA | 分子名称: | DNA POLYMERASE BETA | 著者 | Maciejewski, M.W, Prasad, R, Liu, D.-J, Wilson, S.H, Mullen, G.P. | 登録日 | 1999-12-06 | 公開日 | 2000-02-14 | 最終更新日 | 2024-04-10 | 実験手法 | SOLUTION NMR | 主引用文献 | Backbone dynamics and refined solution structure of the N-terminal domain of DNA polymerase beta. Correlation with DNA binding and dRP lyase activity. J.Mol.Biol., 296, 2000
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6T7P
| human plasmakallikrein protease domain in complex with active site directed inhibitor | 分子名称: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | 著者 | Renatus, M. | 登録日 | 2019-10-22 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.416 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS5
| Coagulation factor XI protease domain in complex with active site inhibitor | 分子名称: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | 著者 | Renatus, M, Schiering, N. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS6
| Coagulation factor XI protease domain in complex with active site inhibitor | 分子名称: | 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | 著者 | Renatus, M, Schiering, N. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2020-08-26 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS4
| Coagulation factor XI protease domain in complex with active site inhibitor | 分子名称: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | 著者 | Renatus, M, Schiering, N. | 登録日 | 2019-12-19 | 公開日 | 2020-07-08 | 最終更新日 | 2020-08-26 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS7
| Coagulation factor XI protease domain in complex with active site inhibitor | 分子名称: | 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI | 著者 | Renatus, M, Schiering, N. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2020-08-26 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6USY
| COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936 | 分子名称: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain | 著者 | Weihofen, W.A, Clark, K, Nunes, S. | 登録日 | 2019-10-28 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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7O3U
| The crystal structure of obelin from Obelia longissima bound with v-coelenterazine | 分子名称: | CALCIUM ION, Obelin, v-coelenterazine | 著者 | Larionova, M.D, Wu, L.J, Vysotski, E.S, Liu, Z.-J. | 登録日 | 2021-04-03 | 公開日 | 2022-02-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of semisynthetic obelin-v. Protein Sci., 31, 2022
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8Y4U
| Crystal structure of a His1 from oryza sativa | 分子名称: | FE (III) ION, Fe(II)/2-oxoglutarate-dependent oxygenase | 著者 | Wang, N, Ma, J.M, Shibing, H, Beibei, Y, He, Z, Dandan, L. | 登録日 | 2024-01-30 | 公開日 | 2024-02-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of HPPD inhibitor sensitive protein from Oryza sativa. Biochem.Biophys.Res.Commun., 704, 2024
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7T9V
| Crystal structure of hSTING with the agonist, SHR171032 | 分子名称: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | 著者 | Chowdhury, R, Miller, M. | 登録日 | 2021-12-20 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
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7T9U
| Crystal structure of hSTING with an agonist (SHR169224) | 分子名称: | (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | 著者 | Chowdhury, R, Miller, M. | 登録日 | 2021-12-20 | 公開日 | 2022-12-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis. Sci Rep, 12, 2022
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5KX5
| Crystal structure of tubulin-stathmin-TTL-Compound 11 complex | 分子名称: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[[(2~{S},3~{S})-2-[[(2~{R})-1,2-dimethylpyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-aminophenyl)-2-methyl-pentanoic acid, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | 著者 | Parris, K. | 登録日 | 2016-07-20 | 公開日 | 2016-12-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Design, Synthesis, and Cytotoxic Evaluation of Novel Tubulysin Analogues as ADC Payloads. ACS Med Chem Lett, 7, 2016
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2YEX
| Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | 分子名称: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | 登録日 | 2011-03-31 | 公開日 | 2012-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2YER
| Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | 分子名称: | 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. | 登録日 | 2011-03-30 | 公開日 | 2012-03-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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2YDJ
| Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | 分子名称: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | 登録日 | 2011-03-22 | 公開日 | 2012-01-25 | 最終更新日 | 2019-04-03 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
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2YDK
| Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | 分子名称: | 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | 登録日 | 2011-03-22 | 公開日 | 2012-04-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
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2YDI
| Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas | 分子名称: | 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | 登録日 | 2011-03-21 | 公開日 | 2012-04-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas. J.Med.Chem., 55, 2012
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3Q9U
| In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | 分子名称: | COENZYME A, CoA binding protein, consensus ankyrin repeat | 著者 | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | 登録日 | 2011-01-10 | 公開日 | 2011-04-20 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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3Q9N
| In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | 分子名称: | CARBAMOYL SARCOSINE, COENZYME A, CoA binding protein, ... | 著者 | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | 登録日 | 2011-01-09 | 公開日 | 2011-04-27 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A de novo protein binding pair by computational design and directed evolution. Mol.Cell, 42, 2011
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8I60
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6JM5
| Crystal structure of TBC1D23 C terminal domain | 分子名称: | SODIUM ION, TBC1 domain family member 23 | 著者 | Sun, Q, Huang, W. | 登録日 | 2019-03-07 | 公開日 | 2019-10-16 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH. Proc.Natl.Acad.Sci.USA, 116, 2019
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1I6X
| STRUCTURE OF A STAR MUTANT CRP-CAMP AT 2.2 A | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR PROTEIN | 著者 | White, M.A, Lee, J.C, Fox, R.O. | 登録日 | 2001-03-06 | 公開日 | 2003-06-17 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The effect of the D53H point mutation on the macroscopic
motions of E. coli Cyclic AMP Receptor Protein To be Published
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1I5Z
| STRUCTURE OF CRP-CAMP AT 1.9 A | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CATABOLITE GENE ACTIVATOR PROTEIN | 著者 | White, M.A, Lee, J.C, Fox, R.O. | 登録日 | 2001-03-01 | 公開日 | 2003-06-17 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The effect of the D53H point mutation on the macroscopic
motions of E. coli Cyclic AMP Receptor Protein To be Published
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1TFB
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