6V79
| Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with NF2376 | 分子名称: | 1,2-ETHANEDIOL, 4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide, Hdac6 protein, ... | 著者 | Osko, J.D, Christianson, D.W. | 登録日 | 2019-12-08 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.03951526 Å) | 主引用文献 | Harnessing the Role of HDAC6 in Idiopathic Pulmonary Fibrosis: Design, Synthesis, Structural Analysis, and Biological Evaluation of Potent Inhibitors. J.Med.Chem., 64, 2021
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6WA2
| Crystal structure of EGFR(T790M/V948R) in complex with LN3753 | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-03-24 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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6WAK
| A crystal structure of EGFR(T790M/V948R) in complex with LN3754 | 分子名称: | Epidermal growth factor receptor, MAGNESIUM ION, N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-03-25 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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7UR4
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6WXN
| EGFR(T790M/V948R) in complex with LN3844 | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-05-11 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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7CM0
| Crystal structure of a glutaminyl cyclase in complex with NHV-1009 | 分子名称: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea, Glutaminyl-peptide cyclotransferase, ZINC ION | 著者 | Lee, J.W, Song, J.Y, Jang, T.H, Ha, J.H. | 登録日 | 2020-07-23 | 公開日 | 2021-12-22 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of highly potent human glutaminyl cyclase (QC) inhibitors as anti-Alzheimer's agents by the combination of pharmacophore-based and structure-based design. Eur.J.Med.Chem., 226, 2021
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3CEV
| ARGINASE FROM BACILLUS CALDEVELOX, COMPLEXED WITH L-ARGININE | 分子名称: | ARGININE, MANGANESE (II) ION, PROTEIN (ARGINASE) | 著者 | Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N. | 登録日 | 1999-03-15 | 公開日 | 1999-04-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily. Structure Fold.Des., 7, 1999
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3CP1
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2G9W
| Crystal Structure of Rv1846c, a Putative Transcriptional Regulatory Protein of Mycobacterium Tuberculosis | 分子名称: | CHLORIDE ION, conserved hypothetical protein | 著者 | Saul, F.A, Haouz, A, Fiez-Vandal, C, Shepard, W, Alzari, P.M. | 登録日 | 2006-03-07 | 公開日 | 2007-03-13 | 最終更新日 | 2021-10-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Genome-wide regulon and crystal structure of BlaI (Rv1846c) from Mycobacterium tuberculosis Mol.Microbiol., 71, 2009
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2GGV
| Crystal structure of the West Nile virus NS2B-NS3 protease, His51Ala mutant | 分子名称: | non-structural protein 2B, non-structural protein 3 | 著者 | Aleshin, A.E, Shiryaev, S.A, Strongin, A.Y, Liddington, R.C. | 登録日 | 2006-03-24 | 公開日 | 2007-03-27 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural evidence for regulation and specificity of flaviviral proteases and evolution of the Flaviviridae fold. Protein Sci., 16, 2007
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3D9Z
| Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | 分子名称: | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | 登録日 | 2008-05-28 | 公開日 | 2009-03-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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3DCS
| Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | 分子名称: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | 登録日 | 2008-06-04 | 公開日 | 2009-03-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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3DCW
| Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | 分子名称: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | 登録日 | 2008-06-04 | 公開日 | 2009-03-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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3DAE
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3DCC
| Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | 分子名称: | 5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | 登録日 | 2008-06-03 | 公開日 | 2009-03-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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3DAZ
| Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | 分子名称: | Carbonic anhydrase 2, N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide, ZINC ION | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | 登録日 | 2008-05-30 | 公開日 | 2009-03-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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3D8W
| Use of a carbonic Anhydrase II, IX Active-site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | 分子名称: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Carbonic anhydrase II, ZINC ION | 著者 | Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. | 登録日 | 2008-05-26 | 公開日 | 2009-03-03 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
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2GIR
| Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-1 inhibitor | 分子名称: | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID, RNA-directed RNA polymerase | 著者 | Harris, S.F. | 登録日 | 2006-03-29 | 公開日 | 2007-04-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus. J.Virol., 80, 2006
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6F6O
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2GIQ
| Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-2 inhibitor | 分子名称: | 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE, RNA-directed RNA polymerase | 著者 | Harris, S.F. | 登録日 | 2006-03-29 | 公開日 | 2007-04-03 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus. J.Virol., 80, 2006
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2GAT
| SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, NMR, REGULARIZED MEAN STRUCTURE | 分子名称: | DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ... | 著者 | Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M. | 登録日 | 1997-11-07 | 公開日 | 1998-01-28 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution. Nat.Struct.Biol., 4, 1997
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7L6V
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6FRR
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5ZQB
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7M1H
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