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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
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
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
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
4PUO
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH RNA/DNA AND NEVIRAPINE
Descriptor:HIV-1 Reverse Transcriptase, p66 subunit, p51 subunit, ...
Authors:Das, K., Martinez, S.E., Arnold, E.
Deposit date:2014-03-13
Release date:2014-06-18
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.901 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
4PWD
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BULGE-RNA/DNA AND NEVIRAPINE
Descriptor:HIV-1 Reverse Transcriptase, P66 subunit, P51 subunit, ...
Authors:Das, K., Martinez, S.E., Arnold, E.
Deposit date:2014-03-19
Release date:2014-06-18
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (3 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
4Q0B
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GAP-RNA/DNA AND NEVIRAPINE
Descriptor:HIV-1 reverse transcriptase, p66 subunit, p51 subunit, ...
Authors:Das, K., Martinez, S.E., Arnold, E.
Deposit date:2014-04-01
Release date:2014-06-18
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (3.3 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
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
2ZD1
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH TMC278 (RILPIVIRINE), A NON-NUCLEOSIDE RT INHIBITOR
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, SULFATE ION, ...
Authors:Das, K., Bauman, J.D., Clark Jr., A.D., Shatkin, A.J., Arnold, E.
Deposit date:2007-11-16
Release date:2008-02-12
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2ZE2
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CRYSTAL STRUCTURE OF L100I/K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH TMC278 (RILPIVIRINE), A NON-NUCLEOSIDE RT INHIBITOR
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile
Authors:Das, K., Bauman, J.D., Clark Jr., A.D., Shatkin, A.J., Arnold, E.
Deposit date:2007-12-05
Release date:2008-02-12
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3BGR
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CRYSTAL STRUCTURE OF K103N/Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH TMC278 (RILPIVIRINE), A NON-NUCLEOSIDE RT INHIBITOR
Descriptor:Reverse transcriptase/ribonuclease H, p51 RT, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ...
Authors:Das, K., Bauman, J.D., Clark Jr., A.D., Shatkin, A.J., Arnold, E.
Deposit date:2007-11-27
Release date:2008-02-12
Last modified:2015-06-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3V4I
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) WITH DNA AND AZTTP
Descriptor:HIV-1 Reverse Transcriptase P66 subunit, HIV-1 Reverse Transcriptase P51 subunit, DNA (5'-D(*AP*TP*GP*GP*AP*AP*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., Martinez, S.E., Arnold, E.
Deposit date:2011-12-15
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7983 Å)
Cite:HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
3V6D
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) CROSS-LINKED WITH AZT-TERMINATED DNA
Descriptor:HIV-1 REVERSE TRANSCRIPTASE P66 subunit, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, DNA (5'-D(*AP*TP*GP*GP*AP*AP*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., Martinez, S.E., Arnold, E.
Deposit date:2011-12-19
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7048 Å)
Cite:HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
3V81
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) WITH DNA AND THE NONNUCLEOSIDE INHIBITOR NEVIRAPINE
Descriptor:HIV-1 Reverse Transcriptase P66 subunit, HIV-1 Reverse Transcriptase P51 subunit, DNA (5'-D(*AP*TP*GP*GP*AP*AP*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., Martinez, S.E., Arnold, E.
Deposit date:2011-12-22
Release date:2012-01-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8503 Å)
Cite:HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.
Nat.Struct.Mol.Biol., 19, 2012
5TXL
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STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
Descriptor:HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, DNA (5'-D(*AP*TP*GP*GP*AP*AP*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., Martinez, S.M., Arnold, E.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
5TXM
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STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP
Descriptor:HIV-1 Reverse Transcriptase P66 subunit, HIV-1 Reverse Transcriptase P51 subunit, DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Das, K., Martinez, S.M., Arnold, E.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
5TXN
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STRUCTURE OF Q151M MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
Descriptor:HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Das, K., Martinez, S.M., Arnold, E.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
5TXO
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STRUCTURE OF Q151M COMPLEX (A62V, V75I, F77L, F116Y, Q151M) MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
Descriptor:HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Das, K., Martinez, S.M., Arnold, E.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.546 Å)
Cite:Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
5TXP
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STRUCTURE OF Q151M COMPLEX (A62V, V75I, F77L, F116Y, Q151M) MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP
Descriptor:HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE P61 SUBUNIT, DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
Authors:Das, K., Martinez, S.M., Arnold, E.
Deposit date:2016-11-17
Release date:2017-04-05
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017