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PDB: 37 件
5HBM
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BU of 5hbm by Molmil
Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase
分子名称: (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid, 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, MANGANESE (II) ION, ...
著者Kirby, K.A, Sarafianos, S.G.
登録日2015-12-31
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.043 Å)
主引用文献Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase
To Be Published
7M9F
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BU of 7m9f by Molmil
Structure of the wild-type native full-length HIV-1 capsid protein in complex with ZW-1261
分子名称: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
著者Kirby, K.A, Sarafianos, S.G.
登録日2021-03-31
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Viruses, 13, 2021
7MKC
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BU of 7mkc by Molmil
N74D mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74)
分子名称: IODIDE ION, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE, capsid protein
著者Kirby, K.A, Sarafianos, S.G.
登録日2021-04-23
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
6ECL
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BU of 6ecl by Molmil
Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase
分子名称: 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H
著者Kirby, K.A, Sarafianos, S.G.
登録日2018-08-08
公開日2019-08-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.385 Å)
主引用文献Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase
To be published
5J1E
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BU of 5j1e by Molmil
Crystal Structure of a Hydroxypyridone Carboxylic Acid Active-Site RNase H Inhibitor in Complex with HIV Reverse Transcriptase
分子名称: 5-hydroxy-4-oxo-1-[(4'-sulfamoyl[1,1'-biphenyl]-4-yl)methyl]-1,4-dihydropyridine-3-carboxylic acid, HIV-1 REVERSE TRANSCRIPTASE P51 DOMAIN, HIV-1 REVERSE TRANSCRIPTASE P66 DOMAIN, ...
著者Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-06-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H.
J.Med.Chem., 59, 2016
6AOC
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BU of 6aoc by Molmil
Crystal Structure of an N-Hydroxythienopyrimidine-2,4-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
分子名称: 1,2-ETHANEDIOL, 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, MANGANESE (II) ION, ...
著者Kirby, K.A, Sarafianos, S.G.
登録日2017-08-15
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, synthesis and biological evaluations of N-Hydroxy thienopyrimidine-2,4-diones as inhibitors of HIV reverse transcriptase-associated RNase H.
Eur J Med Chem, 141, 2017
3P1G
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BU of 3p1g by Molmil
Crystal Structure of the Xenotropic Murine Leukemia Virus-Related Virus (XMRV) RNase H Domain
分子名称: MAGNESIUM ION, Xenotropic Murine Leukemia Virus-Related Virus (XMRV) RNase H Domain
著者Kirby, K.A, Sarafianos, S.G.
登録日2010-09-30
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural and Inhibition Studies of the RNase H Function of Xenotropic Murine Leukemia Virus-Related Virus Reverse Transcriptase.
Antimicrob.Agents Chemother., 56, 2012
5TUQ
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BU of 5tuq by Molmil
Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase
分子名称: 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
著者Kirby, K.A, Sarafianos, S.G.
登録日2016-11-07
公開日2017-06-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
5UV5
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BU of 5uv5 by Molmil
Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
分子名称: 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
著者Kirby, K.A, Sarafianos, S.G.
登録日2017-02-19
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
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
4XFX
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BU of 4xfx by Molmil
Structure of the native full-length HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2014-12-29
公開日2015-06-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability.
Science, 349, 2015
4XFY
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BU of 4xfy by Molmil
Structure of the native full-length dehydrated HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, PENTAETHYLENE GLYCOL
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2014-12-29
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability.
Science, 349, 2015
4XFZ
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BU of 4xfz by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with PF-3450074 (PF74)
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2014-12-29
公開日2015-06-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability.
Science, 349, 2015
7MN0
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BU of 7mn0 by Molmil
N74D mutant of the HIV-1 capsid protein
分子名称: IODIDE ION, capsid protein
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2021-04-30
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
5J2N
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BU of 5j2n by Molmil
HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and dTMP at the N-(pre-translocation) site
分子名称: DNA (27-MER), DNA 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3', MAGNESIUM ION, ...
著者Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.896 Å)
主引用文献Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
5J2Q
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BU of 5j2q by Molmil
HIV-1 reverse transcriptase in complex with DNA that has incorporated a mismatched EFdA-MP at the N-(pre-translocation) site
分子名称: 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(6FM)P*(6FM))-3'), ...
著者Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
5J2M
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BU of 5j2m by Molmil
HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor
分子名称: 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(tetrahydrogen triphosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*G)-3'), ...
著者Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.432 Å)
主引用文献Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
5J2P
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BU of 5j2p by Molmil
HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and a second EFdA-MP at the N-(pre-translocation) site
分子名称: 2'-deoxy-4'-ethynyl-2-fluoroadenosine 5'-(dihydrogen phosphate), DNA (27-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(6FM)P*(6FM))-3'), ...
著者Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
登録日2016-03-29
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016
6AXS
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BU of 6axs by Molmil
Structure of the V11I/T58A/P122A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Identification of a novel element in HIV-1 capsid critical for assembly and maturation
To be published
6AYA
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BU of 6aya by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Nup153 peptide
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2J
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BU of 6b2j by Molmil
E45A mutant of HIV-1 capsid protein (other crystal form)
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6AXX
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BU of 6axx by Molmil
Structure of the T58A/I124A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of a novel element in HIV-1 capsid critical for assembly and maturation
To be published
6AXV
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BU of 6axv by Molmil
Structure of the T58S/T107I/P122A mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74)
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-07
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Identification of a novel element in HIV-1 capsid critical for assembly and maturation
To be published
6B2I
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BU of 6b2i by Molmil
E45A mutant of the HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
6B2G
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BU of 6b2g by Molmil
P38A mutant of HIV-1 capsid protein
分子名称: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
著者Gres, A.T, Kirby, K.A, Sarafianos, S.G.
登録日2017-09-20
公開日2018-09-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.407 Å)
主引用文献Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023

 

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