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2A4Q
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BU of 2a4q by Molmil
HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.
分子名称: (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ...
著者Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V.
登録日2005-06-29
公開日2006-07-04
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
2XWY
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BU of 2xwy by Molmil
Structure of MK-3281, a Potent Non-Nucleoside Finger-Loop Inhibitor, in complex with the Hepatitis C Virus NS5B Polymerase
分子名称: (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl)amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Di Marco, S, Baiocco, P.
登録日2010-11-06
公開日2010-12-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Discovery of (7R)-14-Cyclohexyl-7-{[2-(Dimethylamino)Ethyl] (Methyl)Amino}-7,8-Dihydro-6H-Indolo[1,2-E][1,5] Benzoxazocine -11-Carboxylic Acid (Mk-3281), a Potent and Orally Bioavailable Finger-Loop Inhibitor of the Hepatitis C Virus Ns5B Polymerase
J.Med.Chem., 54, 2011
1OL0
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BU of 1ol0 by Molmil
Crystal structure of a camelised human VH
分子名称: GLYCEROL, IMMUNOGLOBULIN G, SULFATE ION
著者Dottorini, T, Vaughan, C.K, Walsh, M.A, Losurdo, P, Sollazzo, M.
登録日2003-08-02
公開日2004-01-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of a Human Vh: Requirements for Maintaining a Monomeric Fragment
Biochemistry, 43, 2004
1W3C
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BU of 1w3c by Molmil
Crystal structure of the Hepatitis C Virus NS3 Protease in complex with a peptidomimetic inhibitor
分子名称: 3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARB ONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, 3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-CARBOXY(HYDROXY)METHYL]-3,3-DIFLUOROPROPYL}AMINO)CARBONYL]-3-METHYLBUTYL}AMINO)CARBONYL]-2,3-DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-2-CARBOXYLIC ACID, NONSTRUCTURAL PROTEIN NS4A (P4), ...
著者Di Marco, S, Volpari, C.
登録日2004-07-14
公開日2004-12-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Design and Enzyme-Bound Crystal Structure of Indoline Based Peptidomimetic Inhibitors of Hepatitis C Virus Ns3 Protease
J.Med.Chem., 47, 2004
2X2L
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BU of 2x2l by Molmil
Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
分子名称: (3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
登録日2010-01-13
公開日2010-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010
2X2K
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Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
分子名称: (3Z)-5-amino-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1,3-dihydro-2H-indol-2-one, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
登録日2010-01-13
公開日2010-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010
2X2M
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BU of 2x2m by Molmil
Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor
分子名称: (3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET
著者Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q.
登録日2010-01-13
公開日2010-02-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.
Bioorg. Med. Chem., 18, 2010
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