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PDB: 150 件
1SUQ
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BU of 1suq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R185545
分子名称: (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL, MAGNESIUM ION, REVERSE TRANSCRIPTASE
著者Das, K, Arnold, E.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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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BU of 1sv5 by Molmil
CRYSTAL STRUCTURE OF K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R165335
分子名称: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse Transcriptase
著者Das, K, Arnold, E.
登録日2004-03-27
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
4R5P
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BU of 4r5p by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with DNA and a nucleoside triphosphate mimic alpha-carboxy nucleoside phosphonate inhibitor
分子名称: 5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', 5'-D(*TP*GP*GP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3', HIV-1 reverse transcriptase, ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2014-08-21
公開日2015-03-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.894 Å)
主引用文献Alpha-carboxy nucleoside phosphonates as universal nucleoside triphosphate mimics.
Proc.Natl.Acad.Sci.USA, 112, 2015
5I3U
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BU of 5i3u by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE N-SITE COMPLEX; CATALYTIC INCORPORATION OF AZTMP to A DNA aptamer in CRYSTAL
分子名称: DNA (39-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ...
著者Das, K, Arnold, E.
登録日2016-02-11
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
5HLF
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BU of 5hlf by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A 38-MER HAIRPIN TEMPLATE-PRIMER DNA APTAMER AND AN ALPHA-CARBOXYPHOSPHONATE INHIBITOR
分子名称: DNA (38-MER), GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, ...
著者Das, K, Arnold, E.
登録日2016-01-15
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Exploring the role of the alpha-carboxyphosphonate moiety in the HIV-RT activity of alpha-carboxy nucleoside phosphonates.
Org.Biomol.Chem., 14, 2016
5HP1
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BU of 5hp1 by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A DNA aptamer and FOSCARNET, a Pyrophosphate analog
分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, DNA (38-MER), GLYCEROL, ...
著者Das, K, Arnold, E.
登録日2016-01-19
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
5I42
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BU of 5i42 by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with a DNA aptamer, AZTTP, and CA(2+) ion
分子名称: 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (38-MER), ...
著者Das, K, Arnold, E.
登録日2016-02-11
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
5HRO
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BU of 5hro by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A DNA aptamer and an Alpha-carboxy nucleoside phosphonate inhibitor (alpha-CNP)
分子名称: DNA (38-MER), HIV-1 REVERSE TRANSCRIPTASE P51 SUBUNIT, HIV-1 REVERSE TRANSCRIPTASE P66 SUBUNIT, ...
著者Das, K, Arnold, E.
登録日2016-01-23
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Conformational States of HIV-1 Reverse Transcriptase for Nucleotide Incorporation vs Pyrophosphorolysis-Binding of Foscarnet.
Acs Chem.Biol., 11, 2016
6YMV
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BU of 6ymv by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase partially-melted transcription initiation complex (PmIC)
分子名称: DNA (33-MER) NON-TEMPLATE, DNA (33-MER) template, DNA-directed RNA polymerase, ...
著者Das, K, Patel, S.S.
登録日2020-04-10
公開日2020-12-02
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM Structures Reveal Transcription Initiation Steps by Yeast Mitochondrial RNA Polymerase.
Mol.Cell, 81, 2021
6YMW
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BU of 6ymw by Molmil
Cryo-EM structure of yeast mitochondrial RNA polymerase transcription initiation complex
分子名称: Chains: N, Chains: T, DNA-directed RNA polymerase, ...
著者Das, K, Patel, S.S.
登録日2020-04-10
公開日2020-12-09
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Cryo-EM Structures Reveal Transcription Initiation Steps by Yeast Mitochondrial RNA Polymerase.
Mol.Cell, 81, 2021
6HAK
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BU of 6hak by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with a double stranded RNA represents the RT transcription initiation complex prior to nucleotide incorporation
分子名称: Gag-Pol polyprotein, MAGNESIUM ION, RNA (5'-R(P*AP*GP*UP*GP*GP*CP*GP*GP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), ...
著者Das, K, Martinez, S.E, Arnold, E.
登録日2018-08-07
公開日2019-04-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.95 Å)
主引用文献Structure of HIV-1 RT/dsRNA initiation complex prior to nucleotide incorporation.
Proc.Natl.Acad.Sci.USA, 116, 2019
2IC3
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BU of 2ic3 by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with Nonnucleoside Inhibitor HBY 097
分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H (p51 RT), ...
著者Das, K, Arnold, E.
登録日2006-09-12
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
6ELI
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BU of 6eli by Molmil
Structure of HIV-1 reverse transcriptase (RT) in complex with rilpivirine and an RNase H inhibitor XZ462
分子名称: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Gag-Pol polyprotein, ...
著者Das, K, Arnold, E.
登録日2017-09-29
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Developing and Evaluating Inhibitors against the RNase H Active Site of HIV-1 Reverse Transcriptase.
J. Virol., 92, 2018
6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Das, K, Lin, W, Ebright, E.
登録日2017-12-19
公開日2018-02-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
5TXP
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BU of 5txp by Molmil
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
分子名称: 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献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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BU of 5txn by Molmil
STRUCTURE OF Q151M MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献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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BU of 5txo by Molmil
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
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.546 Å)
主引用文献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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BU of 5txm by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DDATP
分子名称: 1,2-ETHANEDIOL, 2',3'-dideoxyadenosine triphosphate, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
4KO0
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BU of 4ko0 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH an anilinylpyrimidine derivative (JLJ-135)
分子名称: 1,2-ETHANEDIOL, 4-[(4-methoxypyrimidin-2-yl)amino]-2-[(3-methylbut-2-en-1-yl)oxy]benzonitrile, HIV-1 reverse transcriptase, ...
著者Das, K, Bauman, J.D, Arnold, E.
登録日2013-05-10
公開日2013-08-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Extension into the entrance channel of HIV-1 reverse transcriptase-Crystallography and enhanced solubility.
Bioorg.Med.Chem.Lett., 23, 2013
5TXL
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BU of 5txl by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING DATP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG) P*CP*GP*CP*CP*GP)-3'), ...
著者Das, K, Martinez, S.M, Arnold, E.
登録日2016-11-17
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Structural Insights into HIV Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance.
Antimicrob. Agents Chemother., 61, 2017
3QO9
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BU of 3qo9 by Molmil
Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with TSAO-T, a non-nucleoside RT inhibitor (NNRTI)
分子名称: 1-[(5R,6R,8R,9R)-4-amino-9-{[tert-butyl(dimethyl)silyl]oxy}-6-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2,2-dioxido-1,7-dioxa-2-thiaspiro[4.4]non-3-en-8-yl]-5-methylpyrimidine-2,4(1H,3H)-dione, Reverse transcriptase/ ribonuclease H, p51 RT
著者Das, K, Arnold, E.
登録日2011-02-09
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal Structure of tert-Butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in Complex with HIV-1 Reverse Transcriptase (RT) Redefines the Elastic Limits of the Non-nucleoside Inhibitor-Binding Pocket.
J.Med.Chem., 54, 2011
2ZD1
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BU of 2zd1 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor
分子名称: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ...
著者Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
登録日2007-11-16
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献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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BU of 2ze2 by Molmil
Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
登録日2007-12-05
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1LXY
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BU of 1lxy by Molmil
Crystal Structure of Arginine Deiminase covalently linked with L-citrulline
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine Deiminase, CITRULLINE
著者Das, K, Buttler, G.H, Kwiatkowski, V, Yadav, P, Arnold, E.
登録日2002-06-06
公開日2004-01-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of arginine deiminase with covalent reaction intermediates; implications for catalytic mechanism
Structure, 12, 2004
1M0S
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BU of 1m0s by Molmil
NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG ID IR21)
分子名称: CITRIC ACID, Ribose-5-Phosphate Isomerase A
著者Das, K, Xiao, R, Acton, T, Montelione, G, Arnold, E, Northeast Structural Genomics Consortium (NESG)
登録日2002-06-14
公開日2002-09-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献D-RIBOSE-5-PHOSPHATE ISOMERASE, IR21
TO BE PUBLISHED

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