1S17
| Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors | 分子名称: | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-2-YL)-N-HYDROXYACETAMIDE, GLYCEROL, NICKEL (II) ION, ... | 著者 | Molteni, V, He, X, Nabakka, J, Yang, K, Kreusch, A, Gordon, P, Bursulaya, B, Ryder, N.S, Goldberg, R, He, Y. | 登録日 | 2004-01-05 | 公開日 | 2004-03-30 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Identification of novel potent bicyclic peptide deformylase inhibitors Bioorg.Med.Chem.Lett., 14, 2004
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2J14
| 3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2 | 分子名称: | (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA | 著者 | Epple, R, Azimioara, M, Russo, R, Xie, Y, Wang, X, Cow, C, Wityak, J, Karanewsky, D, Bursulaya, B, Kreusch, A, Tuntland, T, Gerken, A, Iskandar, M, Saez, E, Seidel, H.M, Tian, S.S. | 登録日 | 2006-08-08 | 公開日 | 2006-09-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | 3,4,5-Trisubstituted Isoxazoles as Novel Ppardelta Agonists. Part 2 Bioorg.Med.Chem.Lett., 16, 2006
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3R5L
| Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-18 | 公開日 | 2012-01-18 | 最終更新日 | 2017-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5R
| Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | 分子名称: | COENZYME F420, Deazaflavin-dependent nitroreductase | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-19 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5P
| Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | 分子名称: | Deazaflavin-dependent nitroreductase, SULFATE ION | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-19 | 公開日 | 2012-01-18 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5Y
| Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420 | 分子名称: | COENZYME F420, Putative uncharacterized protein | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-20 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5W
| Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | 分子名称: | COENZYME F420, Deazaflavin-dependent nitroreductase | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-20 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.786 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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3R5Z
| Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420 | 分子名称: | COENZYME F420, Putative uncharacterized protein, SULFATE ION | 著者 | Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H. | 登録日 | 2011-03-20 | 公開日 | 2012-01-18 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.503 Å) | 主引用文献 | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
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4Z55
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5W5O
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5W5J
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3FVF
| The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution | 分子名称: | 1-[4-(hydroxymethyl)phenyl]guanidine, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | 登録日 | 2009-01-15 | 公開日 | 2009-05-05 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci., 18, 2009
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6UIP
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3K5V
| Structure of Abl kinase in complex with imatinib and GNF-2 | 分子名称: | 3-(6-{[4-(trifluoromethoxy)phenyl]amino}pyrimidin-4-yl)benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ... | 著者 | Cowan-Jacob, S.W, Fendrich, G, Rummel, G, Strauss, A. | 登録日 | 2009-10-08 | 公開日 | 2010-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Targeting Bcr-Abl by combining allosteric with ATP-binding-site inhibitors. Nature, 463, 2010
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5D41
| EGFR kinase domain in complex with mutant selective allosteric inhibitor | 分子名称: | (2R)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Yun, C.-H, Park, E, Eck, M.J. | 登録日 | 2015-08-07 | 公開日 | 2016-06-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Overcoming EGFR(T790M) and EGFR(C797S) resistance with mutant-selective allosteric inhibitors. Nature, 534, 2016
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6TCZ
| Leishmania tarentolae proteasome 20S subunit complexed with LXE408 | 分子名称: | Proteasome endopeptidase complex, Proteasome subunit alpha type, Proteasome subunit beta, ... | 著者 | Srinivas, H. | 登録日 | 2019-11-07 | 公開日 | 2020-08-26 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases. J.Med.Chem., 63, 2020
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6TD5
| Leishmania tarentolae proteasome 20S subunit complexed with LXE408 and bortezomib | 分子名称: | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, Proteasome endopeptidase complex, Proteasome subunit alpha type, ... | 著者 | Srinivas, H. | 登録日 | 2019-11-07 | 公開日 | 2020-08-26 | 最終更新日 | 2020-10-21 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Discovery and Characterization of Clinical Candidate LXE408 as a Kinetoplastid-Selective Proteasome Inhibitor for the Treatment of Leishmaniases. J.Med.Chem., 63, 2020
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7RUN
| Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrrolo[2,3-d]pyrimidine inhibitor. | 分子名称: | 1-(4-{(1s,3s)-3-[4-amino-5-(3-amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl}piperazin-1-yl)ethan-1-one, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase receptor Ret | 著者 | Lee, C.C, Spraggon, G. | 登録日 | 2021-08-17 | 公開日 | 2022-01-19 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Antitarget Selectivity and Tolerability of Novel Pyrrolo[2,3- d ]pyrimidine RET Inhibitors. Acs Med.Chem.Lett., 12, 2021
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4AE1
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4AE0
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5FEQ
| EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE | 分子名称: | Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-17 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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5FED
| EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. | 分子名称: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-16 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.651 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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5FEE
| EGFR kinase domain T790M mutant in complex with a covalent aminobenzimidazole inhibitor. | 分子名称: | Epidermal growth factor receptor, ~{N}-[7-methyl-1-[(3~{R})-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | 著者 | DiDonato, M, Spraggon, G. | 登録日 | 2015-12-16 | 公開日 | 2016-07-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
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6VHG
| Crystal structure of phosphorylated RET tyrosine kinase domain complexed with a pyrazolo[1,5-a]pyrimidine inhibitor | 分子名称: | 3-(3,4-dimethoxyphenyl)-N~5~-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine, ACETATE ION, CHLORIDE ION, ... | 著者 | Lee, C.C, Spraggon, G. | 登録日 | 2020-01-09 | 公開日 | 2020-02-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.303 Å) | 主引用文献 | Efficacy and Tolerability of Pyrazolo[1,5-a]pyrimidine RET Kinase Inhibitors for the Treatment of Lung Adenocarcinoma. Acs Med.Chem.Lett., 11, 2020
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3GYM
| Structure of Prostasin in Complex with Aprotinin | 分子名称: | Pancreatic trypsin inhibitor, Prostasin | 著者 | Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A. | 登録日 | 2009-04-03 | 公開日 | 2009-05-05 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci., 18, 2009
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