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1J5O
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BU of 1j5o by Molmil
CRYSTAL STRUCTURE OF MET184ILE MUTANT OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DOUBLE STRANDED DNA TEMPLATE-PRIMER
Descriptor: 5'-D(*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3', 5'-D(*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*A)-3', ANTIBODY (HEAVY CHAIN), ...
Authors:Sarafianos, S.G, Das, K, Arnold, E.
Deposit date:2002-05-24
Release date:2002-06-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Lamivudine (3TC) resistance in HIV-1 reverse transcriptase involves steric hindrance with beta-branched amino acids.
Proc.Natl.Acad.Sci.USA, 96, 1999
1HYS
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BU of 1hys by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH A POLYPURINE TRACT RNA:DNA
Descriptor: 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, ...
Authors:Sarafianos, S.G, Das, K, Tantillo, C, Clark Jr, A.D, Ding, J, Whitcomb, J, Boyer, P.L, Hughes, S.H, Arnold, E.
Deposit date:2001-01-22
Release date:2001-03-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of HIV-1 reverse transcriptase in complex with a polypurine tract RNA:DNA.
EMBO J., 20, 2001
1QE1
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BU of 1qe1 by Molmil
CRYSTAL STRUCTURE OF 3TC-RESISTANT M184I MUTANT OF HIV-1 REVERSE TRANSCRIPTASE
Descriptor: REVERSE TRANSCRIPTASE, SUBUNIT P51, SUBUNIT P66
Authors:Sarafianos, S.G, Das, K, Ding, J, Hughes, S.H, Arnold, E.
Deposit date:1999-07-12
Release date:1999-08-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Lamivudine (3TC) resistance in HIV-1 reverse transcriptase involves steric hindrance with beta-branched amino acids.
Proc.Natl.Acad.Sci.USA, 96, 1999
1N5Y
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BU of 1n5y by Molmil
HIV-1 Reverse Transcriptase Crosslinked to Post-Translocation AZTMP-Terminated DNA (Complex P)
Descriptor: 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3', 5'-D(*AP*TP*GP*C*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
Authors:Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, P, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E.
Deposit date:2002-11-07
Release date:2003-01-28
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of HIV-1 Reverse Transcriptase with Pre-Translocation and Post-Translocation AZTMP-Terminated DNA
Embo J., 21, 2002
1N6Q
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BU of 1n6q by Molmil
HIV-1 Reverse Transcriptase Crosslinked to pre-translocation AZTMP-terminated DNA (complex N)
Descriptor: 5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3', 5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
Authors:Sarafianos, S.G, Clark Jr, A.D, Das, K, Tuske, S, Birktoft, J.J, Ilankumaran, I, Ramesha, A.R, Sayer, J.M, Jerina, D.M, Boyer, P.L, Hughes, S.H, Arnold, E.
Deposit date:2002-11-11
Release date:2003-01-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of HIV-1 Reverse Transcriptase with Pre- and Post-translocation AZTMP-terminated DNA
Embo J., 21, 2002
3NTC
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BU of 3ntc by Molmil
Crystal structure of KD-247 Fab, an anti-V3 antibody that inhibits HIV-1 Entry
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Fab heavy chain, ...
Authors:Sarafianos, S.G, Kirby, K.A.
Deposit date:2010-07-03
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis of clade-specific HIV-1 neutralization by humanized anti-V3 monoclonal antibody KD-247.
Faseb J., 29, 2015
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
Descriptor: 1-[4-methoxy-3-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]ethanone, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2018-08-08
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.385 Å)
Cite:Crystal Structure of a 1,2,4-Triazole Allosteric RNase H Inhibitor in Complex with HIV Reverse Transcriptase
To be published
2I5J
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BU of 2i5j by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with DHBNH, an RNASE H inhibitor
Descriptor: (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE, MAGNESIUM ION, Reverse transcriptase/ribonuclease H P51 subunit, ...
Authors:Himmel, D.M, Sarafianos, S.G, Knight, J.L, Levy, R.M, Arnold, E.
Deposit date:2006-08-24
Release date:2006-12-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site.
Acs Chem.Biol., 1, 2006
4DG1
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BU of 4dg1 by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) with polymorphism mutation K172A and K173A
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
Authors:Tu, X, Kirby, K.A, Marchand, B, Sarafianos, S.G.
Deposit date:2012-01-24
Release date:2012-06-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:HIV-1 Reverse Transcriptase (RT) Polymorphism 172K Suppresses the Effect of Clinically Relevant Drug Resistance Mutations to Both Nucleoside and Non-nucleoside RT Inhibitors.
J.Biol.Chem., 287, 2012
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
Descriptor: HIV-1 capsid protein, IODIDE ION, N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation.
Viruses, 13, 2021
3P1G
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BU of 3p1g by Molmil
Crystal Structure of the Xenotropic Murine Leukemia Virus-Related Virus (XMRV) RNase H Domain
Descriptor: MAGNESIUM ION, Xenotropic Murine Leukemia Virus-Related Virus (XMRV) RNase H Domain
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2010-09-30
Release date:2010-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and Inhibition Studies of the RNase H Function of Xenotropic Murine Leukemia Virus-Related Virus Reverse Transcriptase.
Antimicrob.Agents Chemother., 56, 2012
7MKC
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BU of 7mkc by Molmil
N74D mutant of the HIV-1 capsid protein in complex with PF-3450074 (PF74)
Descriptor: IODIDE ION, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE, capsid protein
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-04-23
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
7MN0
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BU of 7mn0 by Molmil
N74D mutant of the HIV-1 capsid protein
Descriptor: IODIDE ION, capsid protein
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2021-04-30
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:TRIM5alpha Restriction of HIV-1-N74D Viruses in Lymphocytes Is Caused by a Loss of Cyclophilin A Protection.
Viruses, 14, 2022
1ZYR
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BU of 1zyr by Molmil
Structure of Thermus thermophilus RNA polymerase holoenzyme in complex with the antibiotic streptolydigin
Descriptor: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase omega chain, ...
Authors:Tuske, S, Sarafianos, S.G, Wang, X, Hudson, B, Sineva, E, Mukhopadhyay, J, Birktoft, J.J, Leroy, O, Ismail, S, Clark, A.D, Dharia, C, Napoli, A, Laptenko, O, Lee, J, Borukhov, S, Ebright, R.H, Arnold, E.
Deposit date:2005-06-10
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Inhibition of bacterial RNA polymerase by streptolydigin: stabilization of a straight-bridge-helix active-center conformation.
Cell(Cambridge,Mass.), 122, 2005
2CW0
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BU of 2cw0 by Molmil
Crystal structure of Thermus thermophilus RNA polymerase holoenzyme at 3.3 angstroms resolution
Descriptor: DNA-directed RNA polymerase alpha chain, DNA-directed RNA polymerase beta chain, DNA-directed RNA polymerase beta' chain, ...
Authors:Tuske, S, Sarafianos, S.G, Wang, X, Hudson, B, Sineva, E, Mukhopadhyay, J, Birktoft, J.J, Leroy, O, Ismail, S, Clark Jr, A.D, Dharia, C, Napoli, A, Laptenko, O, Lee, J, Borukhov, S, Ebright, R.H, Arnold, E.
Deposit date:2005-06-15
Release date:2005-09-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Inhibition of bacterial RNA polymerase by streptolydigin: stabilization of a straight-bridge-helix active-center conformation
Cell(Cambridge,Mass.), 122, 2005
3KLF
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BU of 3klf by Molmil
Crystal structure of wild-type HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA
Descriptor: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), GLYCEROL, ...
Authors:Tu, X, Das, K, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
3KLE
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BU of 3kle by Molmil
Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA
Descriptor: DNA (25-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*(2DA))-3'), GLYCEROL, ...
Authors:Tu, X, Das, K, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
3KLI
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BU of 3kli by Molmil
Crystal structure of unliganded AZT-resistant HIV-1 Reverse Transcriptase
Descriptor: Reverse transcriptase/ribonuclease H, p51 RT
Authors:Tu, X, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-08
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
3KLG
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BU of 3klg by Molmil
Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to pre-translocation AZTMP-Terminated DNA (COMPLEX N)
Descriptor: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), Reverse transcriptase/ribonuclease H, ...
Authors:Tu, X, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
3KLH
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BU of 3klh by Molmil
Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P)
Descriptor: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ...
Authors:Tu, X, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
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)
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ...
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2014-12-29
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability.
Science, 349, 2015
4XFX
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BU of 4xfx by Molmil
Structure of the native full-length HIV-1 capsid protein
Descriptor: CHLORIDE ION, HIV-1 capsid protein, IODIDE ION
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2014-12-29
Release date:2015-06-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite: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
Descriptor: CHLORIDE ION, HIV-1 capsid protein, PENTAETHYLENE GLYCOL
Authors:Gres, A.T, Kirby, K.A, Sarafianos, S.G.
Deposit date:2014-12-29
Release date:2015-06-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:STRUCTURAL VIROLOGY. X-ray crystal structures of native HIV-1 capsid protein reveal conformational variability.
Science, 349, 2015
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
Descriptor: (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, ...
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2015-12-31
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.043 Å)
Cite:Crystal Structure of a Dihydroxycoumarin RNase H Active-Site Inhibitor in Complex with HIV-1 Reverse Transcriptase
To Be Published
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
Descriptor: 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, ...
Authors:Salie, Z.L, Kirby, K.A, Sarafianos, S.G.
Deposit date:2016-03-29
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Structural basis of HIV inhibition by translocation-defective RT inhibitor 4'-ethynyl-2-fluoro-2'-deoxyadenosine (EFdA).
Proc.Natl.Acad.Sci.USA, 113, 2016

 

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