3GTA
| Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ... | 著者 | Franklin, M.C, Fairbrother, W.J, Cohen, F. | 登録日 | 2009-03-27 | 公開日 | 2010-03-09 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres. Bioorg.Med.Chem.Lett., 20, 2010
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2I3H
| Structure of an ML-IAP/XIAP chimera bound to a 4-mer peptide (AVPW) | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AVPW peptide, ... | 著者 | Fairbrother, W.J, Franklin, M.C. | 登録日 | 2006-08-18 | 公開日 | 2006-09-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Acs Chem.Biol., 1, 2006
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2I3I
| Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | 分子名称: | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | 著者 | Fairbrother, W.J, Franklin, M.C. | 登録日 | 2006-08-18 | 公開日 | 2006-09-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design, synthesis, and biological activity of a potent Smac mimetic that sensitizes cancer cells to apoptosis by antagonizing IAPs. Acs Chem.Biol., 1, 2006
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1V6J
| peanut lectin-lactose complex crystallized in orthorhombic form at acidic pH | 分子名称: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | 著者 | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | 登録日 | 2003-12-01 | 公開日 | 2004-02-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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1V6K
| Peanut lectin-lactose complex in the presence of peptide(IWSSAGNVA) | 分子名称: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | 著者 | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | 登録日 | 2003-12-01 | 公開日 | 2004-02-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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1V6L
| Peanut lectin-lactose complex in the presence of 9mer peptide (PVIWSSATG) | 分子名称: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | 著者 | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | 登録日 | 2003-12-01 | 公開日 | 2004-02-10 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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1V6I
| Peanut lectin-lactose complex in acidic pH | 分子名称: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | 著者 | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | 登録日 | 2003-12-01 | 公開日 | 2004-02-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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3F7I
| Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | 著者 | Franklin, M.C, Fairbrother, W.J, Cohen, F. | 登録日 | 2008-11-09 | 公開日 | 2009-03-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold J.Med.Chem., 52, 2009
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3F7H
| Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic | 分子名称: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | 著者 | Franklin, M.C, Fairbrother, W.J, Cohen, F. | 登録日 | 2008-11-09 | 公開日 | 2009-03-17 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold J.Med.Chem., 52, 2009
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3F7G
| Structure of the BIR domain from ML-IAP bound to a peptidomimetic | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Baculoviral IAP repeat-containing protein 7, L-alanyl-L-valyl-N-(2,2-diphenylethyl)-L-prolinamide, ... | 著者 | Franklin, M.C, Fairbrother, W.J, Cohen, F. | 登録日 | 2008-11-09 | 公開日 | 2009-03-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Orally bioavailable antagonists of inhibitor of apoptosis proteins based on an azabicyclooctane scaffold J.Med.Chem., 52, 2009
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2Q1Z
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1RTW
| X-ray Structure of PF1337, a TenA Homologue from Pyrococcus furiosus. Northeast Structural Genomics Research Consortium (Nesg) Target PFR34 | 分子名称: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, PHOSPHATE ION, transcriptional activator, ... | 著者 | Benach, J, Edstrom, W.C, Lee, I, Rong, X, Acton, T.B, Montelione, G.T, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2003-12-10 | 公開日 | 2004-01-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | The 2.35 A structure of the TenA homolog from Pyrococcus furiosus supports an enzymatic function in thiamine metabolism. Acta Crystallogr.,Sect.D, 61, 2005
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3IRX
| Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. | 分子名称: | (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H | 著者 | Ho, W.C, Arnold, E. | 登録日 | 2009-08-24 | 公開日 | 2010-04-07 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the
alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl
5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. J.Med.Chem., 52, 2009
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3KLI
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3KLG
| Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to pre-translocation AZTMP-Terminated DNA (COMPLEX N) | 分子名称: | DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), Reverse transcriptase/ribonuclease H, ... | 著者 | Tu, X, Sarafianos, S.G, Arnold, E. | 登録日 | 2009-11-07 | 公開日 | 2010-09-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | 主引用文献 | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
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3KLH
| Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P) | 分子名称: | DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ... | 著者 | Tu, X, Sarafianos, S.G, Arnold, E. | 登録日 | 2009-11-07 | 公開日 | 2010-09-22 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis of HIV-1 resistance to AZT by excision. Nat.Struct.Mol.Biol., 17, 2010
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4ICL
| HIV-1 reverse transcriptase with bound fragment at the incoming dNTP binding site | 分子名称: | 4-(4-methylpiperazin-1-yl)benzoic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2012-12-10 | 公開日 | 2013-02-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4IG0
| HIV-1 reverse transcriptase with bound fragment at the 507 site | 分子名称: | 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, DIMETHYL SULFOXIDE, P51 RT, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2012-12-15 | 公開日 | 2013-02-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4IG3
| HIV-1 reverse transcriptase with bound fragment near Knuckles site | 分子名称: | (5S)-6,6-dimethyl-5-[(6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2012-12-15 | 公開日 | 2013-02-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4IDK
| HIV-1 reverse transcriptase with bound fragment at the 428 site | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2012-12-12 | 公開日 | 2013-02-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4IFY
| HIV-1 reverse transcriptase with bound fragment at the Knuckles site | 分子名称: | 1-[4-(trifluoromethoxy)phenyl]methanamine, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2012-12-15 | 公開日 | 2013-02-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4IFV
| Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, Exoribonuclease H, ... | 著者 | Bauman, J.D, Patel, D, Fromer, M, Arnold, E. | 登録日 | 2012-12-15 | 公開日 | 2013-02-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4ID5
| HIV-1 reverse transcriptase with bound fragment at the RNase H primer grip site | 分子名称: | 1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2012-12-11 | 公開日 | 2013-02-06 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4KFB
| HIV-1 reverse transcriptase with bound fragment at NNRTI adjacent site | 分子名称: | 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, P51 RT, ... | 著者 | Bauman, J.D, Patel, D, Arnold, E. | 登録日 | 2013-04-26 | 公開日 | 2013-05-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.854 Å) | 主引用文献 | Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-Ray Crystallographic Fragment Screening. J.Med.Chem., 56, 2013
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4KKO
| Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 4-((4-methoxy-6-(2-morpholinoethoxy)-1,3,5-triazin-2-yl)amino)-2-((3-methylbut-2-en-1-yl)oxy)benzonitrile (JLJ513), a non-nucleoside inhibitor | 分子名称: | 4-({4-methoxy-6-[2-(morpholin-4-yl)ethoxy]-1,3,5-triazin-2-yl}amino)-2-(3-methylbutoxy)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ... | 著者 | Frey, K.M, Anderson, K.S. | 登録日 | 2013-05-06 | 公開日 | 2013-08-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility. Bioorg.Med.Chem.Lett., 23, 2013
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