4PXH
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4Q2K
| Bovine alpha chymotrypsin bound to a cyclic peptide inhibitor, 5b | 分子名称: | (11S)-4,9-dioxo-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-17,22-dioxa-10,30-diazatetracyclo[21.2.2.2~13,16~.1~5,8~]triaconta-1(25),5,7,13,15,23,26,28-octaene-11-carboxamide, Chymotrypsinogen A | 著者 | Chan, H.Y, Bruning, J.B, Abell, A.D. | 登録日 | 2014-04-09 | 公開日 | 2014-07-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Macrocyclic protease inhibitors with reduced peptide character. Angew.Chem.Int.Ed.Engl., 53, 2014
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4PWV
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2YHU
| Trypanosoma brucei PTR1 in complex with inhibitor WHF30 | 分子名称: | 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | 登録日 | 2011-05-06 | 公開日 | 2012-05-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
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4PZ6
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3O56
| Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor | 分子名称: | 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ... | 著者 | Somers, D.O, Neu, M. | 登録日 | 2010-07-28 | 公開日 | 2011-08-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR. Bioorg.Med.Chem.Lett., 20, 2010
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5CAL
| EGFR kinase domain mutant "TMLR" with compound 24 | 分子名称: | 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide, Epidermal growth factor receptor | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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7BY6
| Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389 | 分子名称: | (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ... | 著者 | Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S. | 登録日 | 2020-04-21 | 公開日 | 2020-11-04 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.997 Å) | 主引用文献 | Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines. Nat Commun, 12, 2021
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4XX1
| Low resolution structure of LCAT in complex with Fab1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab1 heavy chain, Fab1 light chain, ... | 著者 | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T. | 登録日 | 2015-01-29 | 公開日 | 2015-07-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | The high-resolution crystal structure of human LCAT. J.Lipid Res., 56, 2015
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5C8N
| EGFR kinase domain mutant "TMLR" with compound 23 | 分子名称: | Epidermal growth factor receptor, N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-25 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.401 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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4XWG
| Crystal Structure of LCAT (C31Y) in complex with Fab1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab1 Heavy Chain, Fab1 Light Chain, ... | 著者 | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T. | 登録日 | 2015-01-28 | 公開日 | 2015-07-29 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | The high-resolution crystal structure of human LCAT. J.Lipid Res., 56, 2015
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5C8K
| EGFR kinase domain mutant "TMLR" with compound 1 | 分子名称: | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-25 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAP
| EGFR kinase domain mutant "TMLR" with compound 30 | 分子名称: | 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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4Y8X
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5CAO
| EGFR kinase domain mutant "TMLR" with compound 29 | 分子名称: | Epidermal growth factor receptor, N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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4Y8Z
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5CAN
| EGFR kinase domain mutant "TMLR" with compound 27 | 分子名称: | (3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide, Epidermal growth factor receptor, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAV
| EGFR kinase domain with compound 41a | 分子名称: | (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-30 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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2YHI
| Trypanosoma brucei PTR1 in complex with inhibitor WH16 | 分子名称: | (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | 著者 | Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P. | 登録日 | 2011-05-03 | 公開日 | 2012-05-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery. ACS Omega, 2, 2017
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5C8M
| EGFR kinase domain mutant "TMLR" with compound 17 | 分子名称: | 2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-25 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5CAU
| EGFR kinase domain mutant "TMLR" with compound 41b | 分子名称: | (1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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3M0E
| Crystal structure of the ATP-bound state of Walker B mutant of NtrC1 ATPase domain | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Transcriptional regulator (NtrC family) | 著者 | Chen, B, Sysoeva, T.A, Chowdhury, S, Rusu, M, Birmanns, S, Guo, L, Hanson, J, Yang, H, Nixon, B.T. | 登録日 | 2010-03-02 | 公開日 | 2010-11-03 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Engagement of Arginine Finger to ATP Triggers Large Conformational Changes in NtrC1 AAA+ ATPase for Remodeling Bacterial RNA Polymerase. Structure, 18, 2010
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5CAQ
| EGFR kinase domain mutant "TMLR" with compound 33 | 分子名称: | Epidermal growth factor receptor, N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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5JYO
| Allosteric inhibition of Kidney Isoform of Glutaminase | 分子名称: | 2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide, Glutaminase kidney isoform, mitochondrial | 著者 | Sivaraman, J, Jayaraman, S. | 登録日 | 2016-05-15 | 公開日 | 2016-08-03 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.098 Å) | 主引用文献 | Structural basis for exploring the allosteric inhibition of human kidney type glutaminase. Oncotarget, 7, 2016
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5CAS
| EGFR kinase domain mutant "TMLR" with compound 41a | 分子名称: | (1R)-1-{6-({2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION | 著者 | Eigenbrot, C, Yu, C. | 登録日 | 2015-06-29 | 公開日 | 2015-10-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study. J.Med.Chem., 58, 2015
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