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PDB: 189 件
6HAK
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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
1HPZ
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HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
分子名称: ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, POL POLYPROTEIN
著者Ding, J, Hsiou, Y, Arnold, E.
登録日2000-12-13
公開日2001-05-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance.
J.Mol.Biol., 309, 2001
1HYS
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH A POLYPURINE TRACT RNA:DNA
分子名称: 5'-D(*CP*TP*TP*TP*TP*CP*TP*TP*TP*TP*AP*AP*AP*AP*AP*GP*TP*GP*GP*CP*TP*G)-3', 5'-R(*UP*CP*AP*GP*CP*CP*AP*CP*UP*UP*UP*UP*UP*AP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3', FAB-28 MONOCLONAL ANTIBODY FRAGMENT HEAVY CHAIN, ...
著者Sarafianos, S.G, Das, K, Tantillo, C, Clark Jr, A.D, Ding, J, Whitcomb, J, Boyer, P.L, Hughes, S.H, Arnold, E.
登録日2001-01-22
公開日2001-03-26
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA.
EMBO J., 20, 2001
8UUF
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BU of 8uuf by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun11941
分子名称: ACETATE ION, CHLORIDE ION, N-{(1R)-1-[(3M,5P)-3,5-bis(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, ...
著者Ansari, A, Tan, B, Riuz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUH
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BU of 8uuh by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUW
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SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145
分子名称: 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UOB
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SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682
分子名称: 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E.
登録日2023-10-19
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUU
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SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUY
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SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129
分子名称: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUV
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BU of 8uuv by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197
分子名称: CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ...
著者Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J.
登録日2023-11-02
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UVM
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BU of 8uvm by Molmil
SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313
分子名称: CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ...
著者Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-03
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
8UUG
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BU of 8uug by Molmil
SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303
分子名称: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
著者Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J.
登録日2023-11-01
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
3IG1
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BU of 3ig1 by Molmil
HIV-1 Reverse Transcriptase with the Inhibitor beta-Thujaplicinol Bound at the RNase H Active Site
分子名称: 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, HIV-1 Reverse Transcriptase p51 subunit, HIV-1 Reverse Transcriptase p66 subunit, ...
著者Himmel, D.M, Maegley, K.A, Pauly, T.A, Arnold, E.
登録日2009-07-27
公開日2010-01-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site.
Structure, 17, 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
分子名称: 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'), ...
著者Das, K, Arnold, E.
登録日2009-09-22
公開日2009-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献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
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
分子名称: 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, ...
著者Das, K, Arnold, E.
登録日2009-09-10
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
2B6A
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BU of 2b6a by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50
分子名称: 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE, Reverse transcriptase p51 subunit, Reverse transcriptase p66 subunit
著者Morningstar, M.L, Roth, T, Smith, M.K, Zajac, M, Watson, K, Buckheit, R.W, Das, K, Zhang, W, Arnold, E, Michejda, C.J.
登録日2005-09-30
公開日2005-11-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of HIV-1 reverse transcriptase (RT) in complex with THR-50
TO BE PUBLISHED
3IS9
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BU of 3is9 by Molmil
Crystal structure of the HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate).
分子名称: Reverse transcriptase, Reverse transcriptase/ribonuclease H, dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
著者Ho, W.C, Bauman, J.D, Das, K, Arnold, E.
登録日2009-08-25
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase.
J.Med.Chem., 52, 2009
3IRX
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BU of 3irx by Molmil
Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
分子名称: (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H
著者Ho, W.C, Arnold, E.
登録日2009-08-24
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.
J.Med.Chem., 52, 2009
3QO9
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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
3S24
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BU of 3s24 by Molmil
Crystal structure of human mRNA guanylyltransferase
分子名称: SULFATE ION, mRNA-capping enzyme
著者Das, K, Chu, C, Thyminski, J.R, Bauman, J.D, Guan, R, Qiu, W, Montelione, G.T, Arnold, E, Shatkin, A.J.
登録日2011-05-16
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.0137 Å)
主引用文献Structure of the guanylyltransferase domain of human mRNA capping enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
2F6K
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BU of 2f6k by Molmil
Crystal Structure of Amidohydrorolase II; Northeast Structural Genomics Target LpR24
分子名称: MANGANESE (II) ION, metal-dependent hydrolase
著者Das, K, Xiao, R, Acton, T, Ma, L, Arnold, E, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2005-11-29
公開日2006-01-10
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of ACMDS from Lactobacillus plantarum
To be Published
3IYD
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BU of 3iyd by Molmil
Three-dimensional EM structure of an intact activator-dependent transcription initiation complex
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Catabolite gene activator, DNA (98-MER), ...
著者Hudson, B.P, Quispe, J, Lara, S, Kim, Y, Berman, H, Arnold, E, Ebright, R.H, Lawson, C.L.
登録日2009-08-01
公開日2009-11-10
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (19.799999 Å)
主引用文献Three-dimensional EM structure of an intact activator-dependent transcription initiation complex
Proc.Natl.Acad.Sci.USA, 106, 2009
3DLK
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BU of 3dlk by Molmil
Crystal Structure of an engineered form of the HIV-1 Reverse Transcriptase, RT69A
分子名称: Reverse transcriptase/ribonuclease H, SULFATE ION, p51 RT
著者Ho, W.C, Bauman, J.D, Himmel, D.M, Das, K, Arnold, E.
登録日2008-06-27
公開日2008-10-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal engineering of HIV-1 reverse transcriptase for structure-based drug design.
Nucleic Acids Res., 36, 2008
3DXJ
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BU of 3dxj by Molmil
Crystal structure of thermus thermophilus rna polymerase holoenzyme in complex with the antibiotic myxopyronin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BACTERIAL RNA POLYMERASE BETA SUBUNIT; CHAIN C, M, ...
著者Das, K, Arnold, E.
登録日2008-07-24
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The RNA polymerase "switch region" is a target for inhibitors.
Cell(Cambridge,Mass.), 135, 2008
1IHN
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MT938
分子名称: CHLORIDE ION, hypothetical protein MTH938
著者Das, K, Montelione, G.T, Arnold, E, Northeast Structural Genomics Consortium (NESG)
登録日2001-04-19
公開日2001-05-16
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystal structure of MTH938 from Methanobacterium thermoautotrophicum at 2.2 A resolution reveals a novel tertiary protein fold.
Proteins, 45, 2001

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