Author results

2BE2
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH R221239
Descriptor:REVERSE TRANSCRIPTASE P66 SUBUNIT, REVERSE TRANSCRIPTASE P51 SUBUNIT, SUCROSE, ...
Authors:Himmel, D.M., Das, K., Clark Jr., A.D., Hughes, S.H., Benjahad, A., Oumouch, S., Guillemont, J., Coupa, S., Poncelet, A., Csoka, I., Meyer, C., Andries, K., Nguyen, C.H., Grierson, D.S., Arnold, E.
Deposit date:2005-10-21
Release date:2005-12-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
2B5J
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R165481
Descriptor:Reverse transcriptase P66 SUBUNIT, Reverse transcriptase P51 SUBUNIT, MANGANESE (II) ION, ...
Authors:Himmel, D.H., Das, K., Clark Jr., A.D., Hughes, S.H., Benjahad, A., Oumouch, S., Guillemont, J., Coupa, S., Poncelet, A., Csoka, I., Meyer, C., Andries, K., Mguyen, C.H., Grierson, D.S., Arnold, E.
Deposit date:2005-09-28
Release date:2005-12-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
1R09
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HUMAN RHINOVIRUS 14 COMPLEXED WITH ANTIVIRAL COMPOUND R 61837
Descriptor:HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
Authors:Chapman, M.S., Minor, I., Rossmann, M.G., Diana, G.D., Andries, K.
Deposit date:1990-05-04
Release date:1991-10-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Human rhinovirus 14 complexed with antiviral compound R 61837.
J.Mol.Biol., 217, 1991
1VBA
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POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R78206
Descriptor:POLIOVIRUS TYPE 3, (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID
Authors:Grant, R.A., Hiremath, C.N., Filman, D.J., Syed, R., Andries, K., Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBB
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POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R80633
Descriptor:POLIOVIRUS TYPE 3, (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID
Authors:Grant, R.A., Hiremath, C.N., Filman, D.J., Syed, R., Andries, K., Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBC
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POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R77975
Descriptor:POLIOVIRUS TYPE 3, (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID
Authors:Grant, R.A., Hiremath, C.N., Filman, D.J., Syed, R., Andries, K., Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBD
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POLIOVIRUS (TYPE 1, MAHONEY STRAIN) COMPLEXED WITH R78206
Descriptor:POLIOVIRUS TYPE 1 MAHONEY, (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID
Authors:Grant, R.A., Hiremath, C.N., Filman, D.J., Syed, R., Andries, K., Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
1VBE
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POLIOVIRUS (TYPE 3, SABIN STRAIN, MUTANT 242-H2) COMPLEXED WITH R78206
Descriptor:POLIOVIRUS TYPE 3, (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE, MYRISTIC ACID
Authors:Grant, R.A., Hiremath, C.N., Filman, D.J., Syed, R., Andries, K., Hogle, J.M.
Deposit date:1996-01-02
Release date:1996-07-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.
Curr.Biol., 4, 1994
3KPE
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SOLUTION STRUCTURE OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV)SIX-HELIX BUNDLE COMPLEXED WITH TMC353121, A SMALL-MOLEUCULE INHIBITOR OF RSV
Descriptor:Fusion glycoprotein F0, 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, TETRAETHYLENE GLYCOL
Authors:Roymans, D., De Bondt, H., Arnoult, E., Cummings, M.D., Van Vlijmen, H., Andries, K.
Deposit date:2009-11-16
Release date:2009-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein.
Proc.Natl.Acad.Sci.USA, 107, 2010
1S6Q
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R147681
Descriptor:POL polyprotein [Contains: Reverse transcriptase], 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE
Authors:Das, K., Arnold, E.
Deposit date:2004-01-26
Release date:2004-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
1S9E
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R129385
Descriptor:POL polyprotein [Contains:Reverse transcriptase], POL polyprotein [Contains: Reverse transcriptase], 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE
Authors:Das, K., Clark Jr., A.D., Ludovici, D.W., Kukla, M.J., Decorte, B., Lewi, P.J., Hughes, S.H., Janssen, P.A., Arnold, E.
Deposit date:2004-02-04
Release date:2004-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
1S9G
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R120394.
Descriptor:POL polyprotein [Contains: Reverse transcriptase], 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE
Authors:Das, K., Clark Jr., A.D., Ludovici, D.W., Kukla, M.J., Decorte, B., Lewi, P.J., Hughes, S.H., Janssen, P.A., Arnold, E.
Deposit date:2004-02-04
Release date:2004-05-11
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
1SUQ
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R185545
Descriptor:REVERSE TRANSCRIPTASE, MAGNESIUM ION, (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL
Authors:Das, K., Arnold, E.
Deposit date:2004-03-26
Release date:2004-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
1SV5
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CRYSTAL STRUCTURE OF K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R165335
Descriptor:Reverse Transcriptase, 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
Authors:Das, K., Arnold, E.
Deposit date:2004-03-27
Release date:2004-05-11
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
2BAN
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R157208
Descriptor:Reverse transcriptase P66 subunit, Reverse transcriptase P51 subunit, MANGANESE (II) ION, ...
Authors:Das, K., Arnold, E.
Deposit date:2005-10-14
Release date:2005-12-06
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal Structures for HIV-1 Reverse Transcriptase in Complexes with Three Pyridinone Derivatives: A New Class of Non-Nucleoside Inhibitors Effective against a Broad Range of Drug-Resistant Strains.
J.Med.Chem., 48, 2005
1S6P
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CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
Descriptor:POL polyprotein [Contains: Reverse transcriptase], MAGNESIUM ION, 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA
Authors:Das, K., Arnold, E.
Deposit date:2004-01-26
Release date:2004-05-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
1TVR
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HIV-1 RT/9-CL TIBO
Descriptor:REVERSE TRANSCRIPTASE, 4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
Authors:Das, K., Ding, J., Hsiou, Y., Arnold, E.
Deposit date:1996-04-16
Release date:1997-03-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
J.Mol.Biol., 264, 1996
1UWB
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TYR 181 CYS HIV-1 RT/8-CL TIBO
Descriptor:REVERSE TRANSCRIPTASE, 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
Authors:Das, K., Ding, J., Hsiou, Y., Arnold, E.
Deposit date:1996-11-21
Release date:1997-05-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant.
J.Mol.Biol., 264, 1996
1BQM
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HIV-1 RT/HBY 097
Descriptor:REVERSE TRANSCRIPTASE, (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE
Authors:Hsiou, Y., Das, K., Ding, J., Arnold, E.
Deposit date:1998-08-17
Release date:1999-01-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance.
J.Mol.Biol., 284, 1998
1BQN
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TYR 188 LEU HIV-1 RT/HBY 097
Descriptor:REVERSE TRANSCRIPTASE, (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE
Authors:Hsiou, Y., Das, K., Ding, J., Arnold, E.
Deposit date:1998-08-17
Release date:1999-01-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance.
J.Mol.Biol., 284, 1998
1HNV
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STRUCTURE OF HIV-1 RT(SLASH)TIBO R 86183 COMPLEX REVEALS SIMILARITY IN THE BINDING OF DIVERSE NONNUCLEOSIDE INHIBITORS
Descriptor:HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE
Authors:Das, K., Ding, J., Arnold, E.
Deposit date:1995-03-30
Release date:1995-07-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors.
Nat.Struct.Biol., 2, 1995
1HNI
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STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN A COMPLEX WITH THE NONNUCLEOSIDE INHIBITOR ALPHA-APA R 95845 AT 2.8 ANGSTROMS RESOLUTION
Descriptor:HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), (2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE
Authors:Ding, J., Das, K., Arnold, E.
Deposit date:1995-02-28
Release date:1995-06-03
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of HIV-1 reverse transcriptase in a complex with the non-nucleoside inhibitor alpha-APA R 95845 at 2.8 A resolution.
Structure, 3, 1995
2HWB
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A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A
Descriptor:HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
Authors:Kim, K.H., Rossmann, M.G.
Deposit date:1994-01-25
Release date:1994-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
2HWC
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A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A
Descriptor:HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
Authors:Kim, K.H., Rossmann, M.G.
Deposit date:1994-01-25
Release date:1994-11-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
2HWD
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A COMPARISON OF THE ANTI-RHINOVIRAL DRUG BINDING POCKET IN HRV14 AND HRV1A
Descriptor:HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 1A COAT PROTEIN (SUBUNIT VP3), ...
Authors:Kim, K.H., Rossmann, M.G.
Deposit date:1994-01-25
Release date:1994-09-30
Last modified:2012-03-07
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:A comparison of the anti-rhinoviral drug binding pocket in HRV14 and HRV1A.
J.Mol.Biol., 230, 1993
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