2HY0
 
 | | crystal structure of chek1 in complex with inhibitor 22 | | 分子名称: | 3-[5-(PIPERIDIN-1-YLMETHYL)-1H-INDOL-2-YL]-6-(1H-PYRAZOL-4-YL)QUINOLIN-2(1H)-ONE, Serine/threonine-protein kinase Chk1 | | 著者 | Yan, Y. | | 登録日 | 2006-08-04 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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1NOV
 | | NODAMURA VIRUS | | 分子名称: | NODAMURA VIRUS COAT PROTEINS | | 著者 | Natarajan, P, Johnson, J.E. | | 登録日 | 1997-09-16 | | 公開日 | 1998-01-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Resolution of space-group ambiguity and structure determination of nodamura virus to 3.3 A resolution from pseudo-R32 (monoclinic) crystals.
Acta Crystallogr.,Sect.D, 53, 1997
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3IMX
 | | Crystal Structure of human glucokinase in complex with a synthetic activator | | 分子名称: | (2R)-3-cyclopentyl-N-(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}propanamide, Glucokinase, SODIUM ION, ... | | 著者 | Stams, T, Vash, B. | | 登録日 | 2009-08-11 | | 公開日 | 2009-10-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes.
J.Med.Chem., 52, 2009
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2A4G
 | | Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound | | 分子名称: | ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER, NS3 protease/helicase, NS4a peptide, ... | | 著者 | Arasappan, A, Njoroge, F.G, Chan, T.Y, Bennett, F, Bogen, S.L, Chen, K, Gu, H, Hong, L, Jao, E, Liu, Y.T, Lovey, R.G, Parekh, T, Pike, R.E, Pinto, P, Santhanam, B, Venkatraman, S, Vaccaro, H, Wang, H, Yang, X, Zhu, Z, Mckittrick, B, Saksena, A.K, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Ingram, R, Malcolm, B, Prongay, A.J, Yao, N, Marten, B, Madison, V, Kemp, S, Levy, O, Lim-Wilby, M, Tamura, S, Ganguly, A.K. | | 登録日 | 2005-06-28 | | 公開日 | 2006-07-04 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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2A4R
 | | HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound. | | 分子名称: | NS3 protease/helicase, Ns4a peptide, ZINC ION, ... | | 著者 | Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V. | | 登録日 | 2005-06-29 | | 公開日 | 2006-07-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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2QHM
 | | crystal structure of Chek1 in complex with inhibitor 2a | | 分子名称: | (3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-PYRROLO[2,3-B]PYRIDINE-3-CARBOXYLATE, Serine/threonine-protein kinase Chk1 | | 著者 | Yan, Y, Munshi, S. | | 登録日 | 2007-07-02 | | 公開日 | 2008-03-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2A4Q
 | | 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
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3R7O
 | | Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-2461 analog | | 分子名称: | Hepatocyte growth factor receptor, N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide | | 著者 | Soisson, S.M, Rickert, K, Patel, S.B, Munshi, S, Lumb, K.J. | | 登録日 | 2011-03-22 | | 公開日 | 2012-02-01 | | 最終更新日 | 2017-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for selective small molecule kinase inhibition of activated c-Met.
J.Biol.Chem., 286, 2011
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1NPW
 | | Crystal structure of HIV protease complexed with LGZ479 | | 分子名称: | CARBAMIC ACID 1-{5-BENZYL-5-[2-HYDROXY-4-PHENYL-3-(TETRAHYDRO-FURAN- 3-YLOXYCARBONYLAMINO)-BUTYL]-4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}- INDAN-2-YL ESTER, POL polyprotein | | 著者 | Smith III, A.B. | | 登録日 | 2003-01-20 | | 公開日 | 2003-02-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors.
J.Med.Chem., 46, 2003
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1NPV
 | | Crystal structure of HIV-1 protease complexed with LDC271 | | 分子名称: | POL polyprotein, {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER | | 著者 | Smith, A.B. | | 登録日 | 2003-01-20 | | 公開日 | 2003-02-04 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors.
J.Med.Chem., 46, 2003
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1HYN
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1ZA7
 | | The crystal structure of salt stable cowpea cholorotic mottle virus at 2.7 angstroms resolution. | | 分子名称: | Coat protein | | 著者 | Bothner, B, Speir, J.A, Qu, C, Willits, D.A, Young, M.J, Johnson, J.E. | | 登録日 | 2005-04-05 | | 公開日 | 2006-03-21 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Enhanced local symmetry interactions globally stabilize a mutant virus capsid that maintains infectivity and capsid dynamics.
J.Virol., 80, 2006
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1BT7
 | | THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES | | 分子名称: | NS3 SERINE PROTEASE, ZINC ION | | 著者 | Barbato, G, Cicero, D.O, Nardi, M.C, Steinkuhler, C, Cortese, R, De Francesco, R, Bazzo, R. | | 登録日 | 1998-09-01 | | 公開日 | 1999-06-22 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The solution structure of the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein provides new insights into its activation and catalytic mechanism.
J.Mol.Biol., 289, 1999
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