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PDB: 456 件
6O9E
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BU of 6o9e by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1
分子名称: 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Ruiz, F.X, Hoang, A, Das, K, Arnold, E.
登録日2019-03-13
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1.
J.Med.Chem., 62, 2019
4G8G
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BU of 4g8g by Molmil
Crystal Structure of C12C TCR-HA B2705-KK10
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-27 alpha chain, ...
著者Gras, S, Wilmann, P.G, Rossjohn, J.
登録日2012-07-23
公開日2013-03-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Molecular Basis for the Control of Preimmune Escape Variants by HIV-Specific CD8(+) T Cells.
Immunity, 38, 2013
5OI5
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BU of 5oi5 by Molmil
Dissociation of biochemical and antiretroviral activities of Integrase-LEDGF Allosteric Inhibitors revealed by resistance of A125 polymorphic HIV-1
分子名称: (2~{S})-2-[4-(4,4-dimethylcyclohexen-1-yl)-2-methyl-5-pyridin-2-yl-thiophen-3-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION
著者Ruff, M, Benarous, R.
登録日2017-07-18
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-function analyses unravel distinct effects of allosteric inhibitors of HIV-1 integrase on viral maturation and integration.
J. Biol. Chem., 293, 2018
1HRH
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BU of 1hrh by Molmil
CRYSTAL STRUCTURE OF THE RIBONUCLEASE H DOMAIN OF HIV-1 REVERSE TRANSCRIPTASE
分子名称: RIBONUCLEASE H
著者Davies /II, J.F, Matthews, D.A.
登録日1991-03-06
公開日1992-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of the ribonuclease H domain of HIV-1 reverse transcriptase.
Science, 252, 1991
7TAZ
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BU of 7taz by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor
分子名称: 2-[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase p51, Reverse transcriptase/ribonuclease H
著者Snyder, A.A, Risener, C.J, Kirby, K.A, Sarafianos, S.G.
登録日2021-12-21
公開日2023-04-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of HIV-1 reverse transcriptase (RT) in complex with VM-1500A, a non-nucleoside RT inhibitor
To Be Published
8FFX
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BU of 8ffx by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 19980
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase/ribonuclease H, ...
著者Rumrill, S.R, Ruiz, F.X, Arnold, E.
登録日2022-12-10
公開日2023-04-26
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach.
Molecules, 28, 2023
2BE2
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BU of 2be2 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with R221239
分子名称: 4-(3,5-DIMETHYLPHENOXY)-5-(FURAN-2-YLMETHYLSULFANYLMETHYL)-3-IODO-6-METHYLPYRIDIN-2(1H)-ONE, GLYCEROL, MANGANESE (II) ION, ...
著者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.
登録日2005-10-21
公開日2005-12-06
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献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
7LPX
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BU of 7lpx by Molmil
Crystal Structure of HIV-1 RT in Complex with NBD-14270
分子名称: Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ...
著者Losada, N, Ruiz, F.X, Arnold, E.
登録日2021-02-12
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites.
J.Med.Chem., 64, 2021
7LRY
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BU of 7lry by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion
分子名称: AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ...
著者Hoang, A, Ruiz, F.X, Arnold, E.
登録日2021-02-17
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
8U69
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BU of 8u69 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 3-chloro-5-(4-chloro-2-(2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)benzonitrile (JLJ334), a non-nucleoside inhibitor
分子名称: 3-chloro-5-{4-chloro-2-[2-(5-chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Hollander, K, Carter, Z, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
4COE
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BU of 4coe by Molmil
Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol
分子名称: CHLORIDE ION, PROTEASE, methyl {(2S)-1-[2-(biphenyl-4-ylmethyl)-2-{(4R)-4-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-(prop-2-en-1-ylamino)butan-2-yl]amino}-5-oxo-4-[4-(prop-2-en-1-yl)benzyl]pentyl}hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者DeRosa, M, Unge, J, Motwani, H.V, Rosenquist, A, Vrang, L, Wallberg, H, Larhed, M.
登録日2014-01-28
公開日2014-12-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Synthesis of P1'-Functionalized Macrocyclic Transition-State Mimicking HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol.
J.Med.Chem., 57, 2014
8U6I
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BU of 8u6i by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(2-((2-cyanoindolizin-8-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ745), a non-nucleoside inhibitor
分子名称: MAGNESIUM ION, N-[2-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)ethyl]-N-methylpropanamide, Reverse transcriptase/ribonuclease H, ...
著者Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U6O
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BU of 8u6o by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with5-(2-(3-oxo-3-(pyrrolidin-1-yl)propoxy)phenoxy)-2-naphthonitrile (JLJ753), a non-nucleoside inhibitor
分子名称: 5-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}naphthalene-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
8U6L
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BU of 8u6l by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with N-(2-(5-chloro-2-((6-cyanonaphthalen-1-yl)oxy)phenoxy)ethyl)-N-methylacrylamide (JLJ748), a non-nucleoside inhibitor
分子名称: MAGNESIUM ION, N-(2-{5-chloro-2-[(6-cyanonaphthalen-1-yl)oxy]phenoxy}ethyl)-N-methylprop-2-enamide, Reverse transcriptase/ribonuclease H, ...
著者Prucha, G, Henry, S, Jorgensen, W.L, Anderson, K.S.
登録日2023-09-13
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.486 Å)
主引用文献Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
Eur.J.Med.Chem., 262, 2023
4WE1
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BU of 4we1 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-2-naphthonitrile (JLJ600)
分子名称: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile, Gag-Pol polyprotein, MAGNESIUM ION, ...
著者Frey, K.M, Anderson, K.S.
登録日2014-09-09
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers.
Acs Med.Chem.Lett., 5, 2014
6AMO
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BU of 6amo by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 7.0
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-08-10
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019
5VQW
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BU of 5vqw by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-4-methylnaphthalen-1-yl)acrylamide (JLJ685), a Non-nucleoside Inhibitor
分子名称: N-(6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)prop-2-enamide, Reverse transcriptase/ribonuclease H, SULFATE ION, ...
著者Chan, A.H, Kudalkar, S.N, Anderson, K.S.
登録日2017-05-09
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Covalent inhibitors for eradication of drug-resistant HIV-1 reverse transcriptase: From design to protein crystallography.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6X4B
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BU of 6x4b by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with 7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-5-fluoro-8-methyl-2-naphthonitrile (JLJ655), a Non-nucleoside Inhibitor
分子名称: 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
著者Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-05-22
公開日2020-07-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.
Protein Sci., 29, 2020
3ISN
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BU of 3isn by Molmil
Crystal structure of HIV-1 RT bound to A 6-vinylpyrimidine inhibitor
分子名称: 6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine, Reverse transcriptase/ribonuclease H, p51 RT
著者Ennifar, E, Freisz, S, Bec, G, Dumas, P, Botta, M, Radi, M.
登録日2009-08-26
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of HIV-1 Reverse Transcriptase Bound to a Non-Nucleoside Inhibitor with a Novel Mechanism of Action
Angew.Chem.Int.Ed.Engl., 49, 2010
8FE8
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BU of 8fe8 by Molmil
Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1
分子名称: 1,2-ETHANEDIOL, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, Reverse transcriptase p51, ...
著者Rumrill, S, Ruiz, F.X, Arnold, E.
登録日2022-12-05
公開日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.
Commun Chem, 6, 2023
2IAJ
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BU of 2iaj by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
著者Das, K, Arnold, E.
登録日2006-09-08
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 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
4IG0
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BU of 4ig0 by Molmil
HIV-1 reverse transcriptase with bound fragment at the 507 site
分子名称: 2-({[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl](methyl)amino}methyl)quinazolin-4(1H)-one, DIMETHYL SULFOXIDE, P51 RT, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-15
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
3GGA
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BU of 3gga by Molmil
HIV Protease inhibitors with pseudo-symmetric cores
分子名称: V-1 protease, methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
著者Stoll, V.S.
登録日2009-02-27
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
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
6AVM
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BU of 6avm by Molmil
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO SECOND BASE TEMPLATE OVERHANG
分子名称: 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Das, K, Arnold, E.
登録日2017-09-03
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes.
Protein Sci., 28, 2019

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