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3MED
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BU of 3med by Molmil
HIV-1 K103N Reverse Transcriptase in Complex with TMC125
分子名称: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, CHLORIDE ION, SULFATE ION, ...
著者Lansdon, E.B.
登録日2010-03-31
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
3MEE
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BU of 3mee by Molmil
HIV-1 Reverse Transcriptase in Complex with TMC278
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ...
著者Lansdon, E.B.
登録日2010-03-31
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
3MEG
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BU of 3meg by Molmil
HIV-1 K103N Reverse Transcriptase in Complex with TMC278
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, SULFATE ION, p51 Reverse transcriptase, ...
著者Lansdon, E.B.
登録日2010-03-31
公開日2010-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structures of HIV-1 Reverse Transcriptase with Etravirine (TMC125) and Rilpivirine (TMC278): Implications for Drug Design.
J.Med.Chem., 53, 2010
6WEG
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BU of 6weg by Molmil
Structure of Ft (MglA-SspA)-ppGpp-PigR peptide complex
分子名称: GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, MglA, ...
著者Schumacher, M.A, Brennan, R.
登録日2020-04-02
公開日2020-11-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural Basis for Virulence Activation of Francisella tularensis.
Mol.Cell, 81, 2021
2ZNW
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BU of 2znw by Molmil
Crystal Structure of ScFv10 in Complex with Hen Egg Lysozyme
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv10
著者DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S.
登録日2008-05-02
公開日2009-01-27
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
2ZNX
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BU of 2znx by Molmil
5-Fluorotryptophan Incorporated ScFv10 Complexed to Hen Egg Lysozyme
分子名称: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Lysozyme C, ScFv
著者DeSantis, M.E, Acchione, M, Li, M, Walter, R.L, Wlodawer, A, Smith-Gill, S.
登録日2008-05-02
公開日2009-01-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Specific fluorine labeling of the HyHEL10 antibody affects antigen binding and dynamics
Biochemistry, 51, 2012
3DLG
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BU of 3dlg by Molmil
Crystal structure of hiv-1 reverse transcriptase in complex with GW564511.
分子名称: N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, P51 RT, PHOSPHATE ION, ...
著者Ren, J, Chamberlain, P.P, Stammers, D.K.
登録日2008-06-27
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
3DYA
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BU of 3dya by Molmil
HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1
分子名称: 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT
著者Harris, S.F, Villasenor, A.
登録日2008-07-25
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3DOL
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BU of 3dol by Molmil
Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with GW695634.
分子名称: N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
著者Chamberlain, P.P, Ren, J, Stammers, D.K.
登録日2008-07-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
3DRS
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BU of 3drs by Molmil
HIV reverse transcriptase K103N mutant in complex with inhibitor R8D
分子名称: 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase/ribonuclease H, p66 RT
著者Yan, Y, Prasad, S.
登録日2008-07-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses.
J.Med.Chem., 51, 2008
1HBW
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BU of 1hbw by Molmil
Solution nmr structure of the dimerization domain of the yeast transcriptional activator Gal4 (residues 50-106)
分子名称: REGULATORY PROTEIN GAL4
著者Hidalgo, P, Ansari, A.Z, Schmidt, P, Hare, B, Simkovic, N, Farrell, S, Shin, E.J, Ptashne, M, Wagner, G.
登録日2001-04-20
公開日2001-05-10
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Recruitment of the Transcriptional Machinery Through Gal11P: Structure and Interactions of the GAL4 Dimerization Domain
Genes Dev., 15, 2001
3DRR
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BU of 3drr by Molmil
HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e
分子名称: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2008-07-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses.
J.Med.Chem., 51, 2008
3DRP
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BU of 3drp by Molmil
HIV reverse transcriptase in complex with inhibitor R8e
分子名称: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y, Prasad, S.
登録日2008-07-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses.
J.Med.Chem., 51, 2008
3DLE
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BU of 3dle by Molmil
Crystal structure of hiv-1 reverse transcriptase in complex with GF128590.
分子名称: 2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide, Reverse transcriptase/ribonuclease H, p51 RT
著者Ren, J, Chamberlain, P.P, Stammers, D.K.
登録日2008-06-27
公開日2008-08-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
3DM2
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BU of 3dm2 by Molmil
Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with GW564511.
分子名称: N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
著者Ren, J, Chamberlain, P.P, Stammers, D.K.
登録日2008-06-30
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
3E01
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BU of 3e01 by Molmil
HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
分子名称: 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
著者Harris, S.F, Villasenor, A.
登録日2008-07-30
公開日2008-11-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3DOK
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BU of 3dok by Molmil
Crystal structure of K103N mutant HIV-1 reverse transcriptase in complex with GW678248.
分子名称: 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
著者Chamberlain, P.P, Ren, J, Stammers, D.K.
登録日2008-07-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
3DMJ
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BU of 3dmj by Molmil
CRYSTAL STRUCTURE OF HIV-1 V106A and Y181C MUTANT REVERSE TRANSCRIPTASE IN COMPLEX WITH GW564511.
分子名称: N-{4-[amino(dihydroxy)-lambda~4~-sulfanyl]-2-methylphenyl}-2-(4-chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
著者Ren, J, Chamberlain, P.P, Stammers, D.K.
登録日2008-07-01
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
3T1A
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BU of 3t1a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) in Complex with Inhibitor M05
分子名称: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
著者Yan, Y, Reid, J.
登録日2011-07-21
公開日2011-10-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
2BX4
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BU of 2bx4 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P21212)
分子名称: 3C-like proteinase nsp5
著者Verschueren, K.H.G, Mesters, J.R, Bigalke, J, Hilgenfeld, R.
登録日2005-07-22
公開日2005-09-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
2BX3
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BU of 2bx3 by Molmil
Crystal Structure of SARS Coronavirus Main Proteinase (P43212)
分子名称: 3C-like proteinase nsp5
著者Verschueren, K.H.G, Mesters, J.R, Hilgenfeld, R.
登録日2005-07-22
公開日2005-09-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ph-Dependent Conformational Flexibility of the Sars-Cov Main Proteinase (M(Pro)) Dimer: Molecular Dynamics Simulations and Multiple X-Ray Structure Analyses.
J.Mol.Biol., 354, 2005
8CI4
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BU of 8ci4 by Molmil
Crystal structure of doubly S-methanethiolated rabbit M-type creatine kinase
分子名称: CITRATE ANION, Creatine kinase M-type
著者Joergensen, M.H, Andersen, D.G, Andersen, G.R.
登録日2023-02-08
公開日2023-12-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Chemical Zymogens and Transmembrane Activation of Transcription in Synthetic Cells.
Adv Mater, 36, 2024
7KRJ
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BU of 7krj by Molmil
The GR-Maturation Complex: Glucocorticoid Receptor in complex with Hsp90 and co-chaperone p23
分子名称: ADENOSINE-5'-TRIPHOSPHATE, DEXAMETHASONE, Glucocorticoid receptor, ...
著者Noddings, C.M, Wang, Y.-R, Agard, D.A.
登録日2020-11-20
公開日2022-01-12
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Structure of Hsp90-p23-GR reveals the Hsp90 client-remodelling mechanism.
Nature, 601, 2021
2R2R
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BU of 2r2r by Molmil
d(ATTAGTTATAACTAAT) complexed with MMLV RT catalytic fragment
分子名称: DNA (5'-D(*DAP*DTP*DTP*DAP*DGP*DTP*DTP*DA)-3'), DNA (5'-D(P*DTP*DAP*DAP*DCP*DTP*DAP*DAP*DT)-3'), Reverse transcriptase
著者Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
登録日2007-08-27
公開日2008-07-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R2U
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BU of 2r2u by Molmil
Co(III)bleomycinB2 bithiazole/C-terminal tail domain bound to d(ATTTAGTTAACTAAAT) complexed with MMLV RT catalytic fragment
分子名称: DNA (5'-D(*DAP*DTP*DTP*DTP*DAP*DGP*DT)-3'), DNA (5'-D(P*DTP*DAP*DCP*DTP*DAP*DAP*DAP*DT)-3'), N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide, ...
著者Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
登録日2007-08-27
公開日2008-07-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008

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