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4RHV
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THE USE OF MOLECULAR-REPLACEMENT PHASES FOR THE REFINEMENT OF THE HUMAN RHINOVIRUS 14 STRUCTURE
Descriptor:HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
Authors:Arnold, E., Rossmann, M.G.
Deposit date:1988-01-25
Release date:1988-04-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The use of molecular-replacement phases for the refinement of the human rhinovirus 14 structure.
Acta Crystallogr.,Sect.A, 44, 1988
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
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
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
1HRI
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STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14
Descriptor:HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
Authors:Zhang, A., Nanni, R.G., Oren, D.A., Arnold, E.
Deposit date:1992-10-01
Release date:1993-10-31
Last modified:2012-02-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14.
J.Mol.Biol., 230, 1993
1HRV
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HRV14/SDZ 35-682 COMPLEX
Descriptor:HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP3), ...
Authors:Oren, D.A., Zhang, A., Arnold, E.
Deposit date:1995-03-02
Release date:1995-06-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity.
Antiviral Res., 26, 1995
2HMI
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HIV-1 REVERSE TRANSCRIPTASE/FRAGMENT OF FAB 28/DNA COMPLEX
Descriptor:DNA (5'-D(*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*A)-3'), SUBUNIT OF V-1 REVERSE TRANSCRIPTASE, ...
Authors:Ding, J., Arnold, E.
Deposit date:1998-04-10
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution.
J.Mol.Biol., 284, 1998
1VRH
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HRV14/SDZ 880-061 COMPLEX
Descriptor:RHINOVIRUS 14, 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER
Authors:Oren, D.A., Zhang, A., Arnold, E.
Deposit date:1996-02-26
Release date:1997-02-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
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
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
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
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
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
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
2I5J
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH DHBNH, AN RNASE H INHIBITOR
Descriptor:Reverse transcriptase/ribonuclease H P66 subunit, Reverse transcriptase/ribonuclease H P51 subunit, ALPHA-D-GLUCOSE, ...
Authors:Himmel, D.M., Sarafianos, S.G., Knight, J.L., Levy, R.M., Arnold, E.
Deposit date:2006-08-24
Release date:2006-12-05
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site.
Acs Chem.Biol., 1, 2006
2IAJ
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CRYSTAL STRUCTURE OF K103N/Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH ATP
Descriptor:Reverse transcriptase/ribonuclease H (p66 RT), Reverse transcriptase/ribonuclease H; p51 RT, MANGANESE (II) ION, ...
Authors:Das, K., Arnold, E.
Deposit date:2006-09-08
Release date:2006-12-19
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
2IC3
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CRYSTAL STRUCTURE OF K103N/Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH NONNUCLEOSIDE INHIBITOR HBY 097
Descriptor:Reverse transcriptase/ribonuclease H (p66 RT), Reverse transcriptase/ribonuclease H (p51 RT), MANGANESE (II) ION, ...
Authors:Das, K., Arnold, E.
Deposit date:2006-09-12
Release date:2006-12-19
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
4G1Q
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH RILPIVIRINE (TMC278, EDURANT), A NON-NUCLEOSIDE RT-INHIBITING DRUG
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Bauman, J.D., Patel, D., Das, K., Arnold, E.
Deposit date:2012-07-11
Release date:2013-02-06
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase.
Nat Chem, 5, 2013
4PQU
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH RNA/DNA AND DATP
Descriptor:HIV-1 Reverse Transcriptase, p66 subunit, p51 subunit, ...
Authors:Das, K., Bandwar, R.P., Arnold, E.
Deposit date:2014-03-04
Release date:2014-06-18
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.508 Å)
Cite:Structures of HIV-1 RT-RNA/DNA ternary complexes with dATP and nevirapine reveal conformational flexibility of RNA/DNA: insights into requirements for RNase H cleavage.
Nucleic Acids Res., 42, 2014