3E63
 
 | | Fragment based discovery of JAK-2 inhibitors | | 分子名称: | 5-phenyl-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | 著者 | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | 登録日 | 2008-08-14 | | 公開日 | 2008-10-14 | | 最終更新日 | 2012-02-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3E62
 | | Fragment based discovery of JAK-2 inhibitors | | 分子名称: | 5-bromo-1H-indazol-3-amine, Tyrosine-protein kinase JAK2 | | 著者 | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | 登録日 | 2008-08-14 | | 公開日 | 2008-10-14 | | 最終更新日 | 2012-02-08 | | 実験手法 | X-RAY DIFFRACTION (1.922 Å) | | 主引用文献 | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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1L1P
 | | Solution Structure of the PPIase Domain from E. coli Trigger Factor | | 分子名称: | trigger factor | | 著者 | Kozlov, G, Trempe, J.-F, Perreault, A, Wong, M, Denisov, A, Ghandi, S, Gehring, K, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | 登録日 | 2002-02-19 | | 公開日 | 2003-06-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of the Closed Form of a Peptidyl-Prolyl Isomerase Reveals the Mechanism of Protein Folding
To be Published
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3E64
 | | Fragment based discovery of JAK-2 inhibitors | | 分子名称: | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2 | | 著者 | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | 登録日 | 2008-08-14 | | 公開日 | 2008-10-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3UW5
 | | Crystal structure of the BIR domain of MLIAP bound to GDC0152 | | 分子名称: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | | 著者 | Maurer, B, Hymowitz, S.G. | | 登録日 | 2011-11-30 | | 公開日 | 2012-02-22 | | 最終更新日 | 2017-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
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3UW4
 | | Crystal structure of cIAP1 BIR3 bound to GDC0152 | | 分子名称: | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ... | | 著者 | Maurer, B, Hymowitz, S. | | 登録日 | 2011-11-30 | | 公開日 | 2012-02-22 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152).
J.Med.Chem., 55, 2012
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6XM2
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6PV9
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8DSR
 | | Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362 | | 分子名称: | (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X | | 著者 | Abendroth, J, Lorimer, D.D. | | 登録日 | 2022-07-22 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 .
J.Med.Chem., 65, 2022
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6O1F
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2BHJ
 | | murine iNO synthase with coumarin inhibitor | | 分子名称: | 7,8-DIHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Mathieu, M, Guilloteau, J.P. | | 登録日 | 2005-01-12 | | 公開日 | 2005-03-31 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Design, Synthesis and Characterization of a Novel Class of Coumarin-Based Inhibitors of Inducible Nitric Oxide Synthase
Bioorg.Med.Chem., 13, 2005
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4TQD
 | | Crystal Structure of the C-terminal domain of IFRS bound with 3-iodo-L-Phe and ATP | | 分子名称: | 1,2-ETHANEDIOL, 3-iodo-L-phenylalanine, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Nakamura, A, O'Donoghue, P, Soll, D. | | 登録日 | 2014-06-11 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1429 Å) | | 主引用文献 | Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4TQF
 | | Crystal Structure of the C-terminal domain of IFRS bound with 2-(5-bromothienyl)-L-Ala and ATP | | 分子名称: | 1,2-ETHANEDIOL, 3-(5-bromothiophen-2-yl)-L-alanine, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Nakamura, A, O'Donoghue, P, Soll, D. | | 登録日 | 2014-06-11 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.7143 Å) | | 主引用文献 | Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4L02
 | | Crystal Structure of SphK1 with inhibitor | | 分子名称: | (2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol, Sphingosine kinase 1 | | 著者 | Min, X, Walker, N, Wang, Z. | | 登録日 | 2013-05-30 | | 公開日 | 2013-07-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure guided design of a series of sphingosine kinase (SphK) inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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5V3B
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5V3P
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4EO8
 | | HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres | | 分子名称: | 5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid, RNA-directed RNA polymerase | | 著者 | Appleby, T.C, Canales, E, Watkins, W.J. | | 登録日 | 2012-04-13 | | 公開日 | 2012-06-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4EO6
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6JSJ
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4Q6G
 | | Crystal Structure of the C-terminal domain of AcKRS-1 bound with N-acetyl-lysine and ADPNP | | 分子名称: | 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Eiler, D.R, Kavran, J, Steitz, T.A. | | 登録日 | 2014-04-22 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Polyspecific pyrrolysyl-tRNA synthetases from directed evolution.
Proc.Natl.Acad.Sci.USA, 111, 2014
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1VJQ
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5CEH
 | | Structure of histone lysine demethylase KDM5A in complex with selective inhibitor | | 分子名称: | 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, NICKEL (II) ION, ... | | 著者 | Kiefer, J.R, Vinogradova, M. | | 登録日 | 2015-07-06 | | 公開日 | 2016-05-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | | 主引用文献 | An inhibitor of KDM5 demethylases reduces survival of drug-tolerant cancer cells.
Nat.Chem.Biol., 12, 2016
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5HID
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with AZ628 | | 分子名称: | 3-(2-cyanopropan-2-yl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}benzamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase B-raf | | 著者 | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | 登録日 | 2016-01-11 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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5HI2
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with sorafenib | | 分子名称: | 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Serine/threonine-protein kinase B-raf | | 著者 | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | 登録日 | 2016-01-11 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.512 Å) | | 主引用文献 | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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5HIE
 | | BRAF Kinase domain b3aC loop deletion mutant in complex with dabrafenib | | 分子名称: | Dabrafenib, Serine/threonine-protein kinase B-raf | | 著者 | Whalen, D.M, Foster, S.A, Ozen, A, Wongchenko, M, Yin, J, Schaefer, G, Mayfield, J, Chmielecki, J, Stephens, P, Albacker, L, Yan, Y, Song, K, Hatzivassiliou, G, Eigenbrot, C, Yu, C, Shaw, A.S, Manning, G, Skelton, N.J, Hymowitz, S.G, Malek, S. | | 登録日 | 2016-01-11 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Activation Mechanism of Oncogenic Deletion Mutations in BRAF, EGFR, and HER2.
Cancer Cell, 29, 2016
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