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2R2R
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BU of 2r2r by Molmil
d(ATTAGTTATAACTAAT) complexed with MMLV RT catalytic fragment
Descriptor: 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
Authors:Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
Deposit date:2007-08-27
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R2S
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BU of 2r2s by Molmil
Co(III)bleomycinB2 bound to d(ATTAGTTATAACTAAT) complexed with MMLV RT catalytic fragment
Descriptor: BLEOMYCIN B2, COBALT (III) ION, DNA (5'-D(*DAP*DTP*DTP*DAP*DGP*DTP*DT)-3'), ...
Authors:Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
Deposit date:2007-08-27
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R2T
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BU of 2r2t by Molmil
d(ATTTAGTTAACTAAAT) complexed with MMLV RT catalytic fragment
Descriptor: DNA (5'-D(*DAP*DTP*DTP*DTP*DAP*DGP*DTP*DT)-3'), DNA (5'-D(P*DAP*DAP*DCP*DTP*DAP*DAP*DAP*DT)-3'), Reverse transcriptase
Authors:Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
Deposit date:2007-08-27
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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, ...
Authors:Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
Deposit date:2007-08-27
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3DLG
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BU of 3dlg by Molmil
Crystal structure of hiv-1 reverse transcriptase in complex with GW564511.
Descriptor: 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, ...
Authors:Ren, J, Chamberlain, P.P, Stammers, D.K.
Deposit date:2008-06-27
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
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.
Descriptor: N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
Authors:Chamberlain, P.P, Ren, J, Stammers, D.K.
Deposit date:2008-07-04
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
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.
Descriptor: 2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-N-(2-methyl-4-sulfamoylphenyl)acetamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
Authors:Chamberlain, P.P, Ren, J, Stammers, D.K.
Deposit date:2008-07-04
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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.
Descriptor: 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, ...
Authors:Ren, J, Chamberlain, P.P, Stammers, D.K.
Deposit date:2008-07-01
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
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.
Descriptor: 2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Ren, J, Chamberlain, P.P, Stammers, D.K.
Deposit date:2008-06-27
Release date:2008-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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.
Descriptor: 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, ...
Authors:Ren, J, Chamberlain, P.P, Stammers, D.K.
Deposit date:2008-06-30
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors.
J.Med.Chem., 51, 2008
3DI6
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BU of 3di6 by Molmil
HIV-1 RT with pyridazinone non-nucleoside inhibitor
Descriptor: 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Harris, S.F, Villasenor, A, Dunten, P.
Deposit date:2008-06-19
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18, 2008
3DU6
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BU of 3du6 by Molmil
Structure of the catalytic subunit of telomerase, TERT
Descriptor: Telomerase reverse transcriptase
Authors:Skordalakes, E.
Deposit date:2008-07-16
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure of the Tribolium castaneum telomerase catalytic subunit TERT.
Nature, 455, 2008
3DU5
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BU of 3du5 by Molmil
Structure of the catalytic subunit of telomerase, TERT
Descriptor: Telomerase reverse transcriptase
Authors:Skordalakes, E.
Deposit date:2008-07-16
Release date:2008-08-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of the Tribolium castaneum telomerase catalytic subunit TERT.
Nature, 455, 2008
3DLK
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BU of 3dlk by Molmil
Crystal Structure of an engineered form of the HIV-1 Reverse Transcriptase, RT69A
Descriptor: Reverse transcriptase/ribonuclease H, SULFATE ION, p51 RT
Authors:Ho, W.C, Bauman, J.D, Himmel, D.M, Das, K, Arnold, E.
Deposit date:2008-06-27
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design.
Nucleic Acids Res., 36, 2008
3DRR
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BU of 3drr by Molmil
HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e
Descriptor: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Yan, Y.
Deposit date:2008-07-11
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.89 Å)
Cite: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
3DRS
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BU of 3drs by Molmil
HIV reverse transcriptase K103N mutant in complex with inhibitor R8D
Descriptor: 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase/ribonuclease H, p66 RT
Authors:Yan, Y, Prasad, S.
Deposit date:2008-07-11
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.15 Å)
Cite: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
Descriptor: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Yan, Y, Prasad, S.
Deposit date:2008-07-11
Release date:2008-10-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
3E01
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BU of 3e01 by Molmil
HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
Descriptor: 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-07-30
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
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
Descriptor: 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-07-25
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3FSI
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BU of 3fsi by Molmil
Crystal structure of a trypanocidal 4,4'-Bis(imidazolinylamino)diphenylamine bound to DNA
Descriptor: 5'-D(*CP*TP*TP*AP*AP*TP*TP*C)-3', 5'-D(P*GP*AP*AP*TP*TP*AP*AP*G)-3', ACETATE ION, ...
Authors:Glass, L.S, Georgiadis, M.M, Goodwin, K.D.
Deposit date:2009-01-09
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a trypanocidal 4,4'-bis(imidazolinylamino)diphenylamine bound to DNA.
Biochemistry, 48, 2009
2JLE
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BU of 2jle by Molmil
Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays
Descriptor: 5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile, REVERSE TRANSCRIPTASE/RNASEH
Authors:Jones, L.H, Allan, G, Barba, O, Burt, C, Corbau, R, Dupont, T, Irving, S, Mowbray, C.E, Phillips, C, Swain, N.A, Webster, R, Westby, M.
Deposit date:2008-09-08
Release date:2009-08-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Novel Indazole Non-Nucleoside Reverse Transcriptase Inhibitors Using Molecular Hybridization Based on Crystallographic Overlays.
J.Med.Chem., 52, 2009
3I0R
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BU of 3i0r by Molmil
crystal structure of HIV reverse transcriptase in complex with inhibitor 3
Descriptor: Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT
Authors:Yan, Y, Prasad, S.
Deposit date:2009-06-25
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.
Bioorg.Med.Chem.Lett., 19, 2009
3I0S
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BU of 3i0s by Molmil
crystal structure of HIV reverse transcriptase in complex with inhibitor 7
Descriptor: Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT
Authors:Yan, Y, Prasad, S.
Deposit date:2009-06-25
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.
Bioorg.Med.Chem.Lett., 19, 2009
3JSM
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BU of 3jsm by Molmil
K65R mutant HIV-1 reverse transcriptase cross-linked to DS-DNA and complexed with tenofovir-diphosphate as the incoming nucleotide substrate
Descriptor: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*A*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ...
Authors:Das, K, Arnold, E.
Deposit date:2009-09-10
Release date:2009-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for the role of the K65r mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance.
J.Biol.Chem., 284, 2009
3JYT
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BU of 3jyt by Molmil
K65R mutant HIV-1 reverse transcriptase cross-linked to DS-DNA and complexed with DATP as the incoming nucleotide substrate
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*A*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ...
Authors:Das, K, Arnold, E.
Deposit date:2009-09-22
Release date:2009-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for the role of the K65r mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance.
J.Biol.Chem., 284, 2009

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