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8FS8
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BU of 8fs8 by Molmil
Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 5-nt gapped DNA (9-1-1 encircling fully bound DNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2023-01-09
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
8FS7
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BU of 8fs7 by Molmil
Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 5 (closed 9-1-1 and stably bound chamber DNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2023-01-09
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
8FS6
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BU of 8fs6 by Molmil
Structure of S. cerevisiae Rad24-RFC loading the 9-1-1 clamp onto a 10-nt gapped DNA in step 4 (partially closed 9-1-1 and stably bound chamber DNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Checkpoint protein RAD24, DDC1 isoform 1, ...
Authors:Zheng, F, Georgescu, R, Yao, Y.N, O'Donnell, M.E, Li, H.
Deposit date:2023-01-09
Release date:2023-06-14
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structures of 9-1-1 DNA checkpoint clamp loading at gaps from start to finish and ramification to biology.
Biorxiv, 2023
1COC
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BU of 1coc by Molmil
SOLUTION-STATE STRUCTURE OF A DNA DODECAMER DUPLEX CONTAINING A CIS-SYN THYMINE CYCLOBUTANE DIMER.
Descriptor: DNA (5'-D(*CP*TP*TP*AP*AP*TP*TP*CP*GP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*CP*GP*AP*AP*TP*TP*AP*AP*G)-3')
Authors:McAteer, K, Jing, Y, Kao, J, Taylor, J.-S, Kennedy, M.A.
Deposit date:1999-05-26
Release date:1999-06-09
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution-state structure of a DNA dodecamer duplex containing a Cis-syn thymine cyclobutane dimer, the major UV photoproduct of DNA.
J.Mol.Biol., 282, 1998
3PSQ
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BU of 3psq by Molmil
Crystal structure of Spy0129, a Streptococcus pyogenes class B sortase involved in pilus biogenesis
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ...
Authors:Kang, H.J, Baker, E.N.
Deposit date:2010-12-02
Release date:2011-01-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of Spy0129, a Streptococcus pyogenes class B sortase involved in pilus assembly
Plos One, 6, 2011
3BFV
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BU of 3bfv by Molmil
crystal structure of the chimerical protein CapAB
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Membrane protein CapA1, ...
Authors:Olivares-Illana, V, Meyer, P, Morera, S, Nessler, S.
Deposit date:2007-11-23
Release date:2008-06-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for the Regulation Mechanism of the Tyrosine Kinase CapB from Staphylococcus aureus.
Plos Biol., 6, 2008
1TTD
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BU of 1ttd by Molmil
SOLUTION-STATE STRUCTURE OF A DNA DODECAMER DUPLEX CONTAINING A CIS-SYN THYMINE CYCLOBUTANE DIMER
Descriptor: DNA (5'-D(*CP*TP*TP*AP*AP*TP*TP*CP*GP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*CP*GP*AP*AP*(TTD)P*AP*AP*G)-3')
Authors:Mcateer, K, Jing, Y, Kao, J, Taylor, J.-S, Kennedy, M.A.
Deposit date:1999-01-20
Release date:1999-02-02
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution-state structure of a DNA dodecamer duplex containing a Cis-syn thymine cyclobutane dimer, the major UV photoproduct of DNA.
J.Mol.Biol., 282, 1998
7LFF
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BU of 7lff by Molmil
Crystal structure of the Candida albicans kinesin-8 motor domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein, MAGNESIUM ION
Authors:Allingham, J.S, Hunter, B.
Deposit date:2021-01-16
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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
3C6U
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BU of 3c6u by Molmil
Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22
Descriptor: 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase
Authors:Yan, Y, Prasad, S.
Deposit date:2008-02-05
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.
Bioorg.Med.Chem.Lett., 18, 2008
2QNP
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BU of 2qnp by Molmil
HIV-1 Protease in complex with a iodo decorated pyrrolidine-based inhibitor
Descriptor: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-(4-iodobenzyl)benzenesulfonamide]
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2007-07-19
Release date:2008-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
2QNQ
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BU of 2qnq by Molmil
HIV-1 Protease in complex with a chloro decorated pyrrolidine-based inhibitor
Descriptor: CHLORIDE ION, Gag-Pol polyprotein (Pr160Gag-Pol), N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-benzyl-2-chlorobenzenesulfonamide)
Authors:Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
Deposit date:2007-07-19
Release date:2008-04-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold.
J.Med.Chem., 51, 2008
4LSN
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BU of 4lsn by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-bromo-5-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ518), a non-nucleoside inhibitor
Descriptor: (2E)-3-(3-bromo-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ...
Authors:Gray, W.T, Frey, K.M, Anderson, K.S.
Deposit date:2013-07-22
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase.
Chem.Biol.Drug Des., 83, 2014
4LSL
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BU of 4lsl by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in Complex with (E)-3-(3-(4-chloro-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ476), a non-nucleoside inhibitor
Descriptor: (2E)-3-(3-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, HIV-1 reverse transcriptase, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2013-07-22
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase.
Chem.Biol.Drug Des., 83, 2014
2R2U
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BU of 2r2u by Molmil
Co(III)bleomycinB2 bithiazole/C-terminal tail domain bound to d(ATTTAGTTAACTAAAT) complexed with MMLV RT catalytic fragment
Descriptor: DNA (5'-D(*DAP*DTP*DTP*DTP*DAP*DGP*DT)-3'), DNA (5'-D(P*DTP*DAP*DCP*DTP*DAP*DAP*DAP*DT)-3'), N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide, ...
Authors:Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
Deposit date:2007-08-27
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2R2R
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BU of 2r2r by Molmil
d(ATTAGTTATAACTAAT) complexed with MMLV RT catalytic fragment
Descriptor: DNA (5'-D(*DAP*DTP*DTP*DAP*DGP*DTP*DTP*DA)-3'), DNA (5'-D(P*DTP*DAP*DAP*DCP*DTP*DAP*DAP*DT)-3'), Reverse transcriptase
Authors:Goodwin, K.D, Lewis, M.A, Long, E.C, Georgiadis, M.M.
Deposit date:2007-08-27
Release date:2008-07-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of DNA-bound Co(III) bleomycin B2: Insights on intercalation and minor groove binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6OE3
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BU of 6oe3 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)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor
Descriptor: 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, HIV-1 REVERSE TRANSCRIPTASE, P51 SUBUNIT, ...
Authors:Bertoletti, N, Kudalkar, S.N, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L.
Deposit date:2019-03-27
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and pharmacological evaluation of a novel non-nucleoside reverse transcriptase inhibitor as a promising long acting nanoformulation for treating HIV.
Antiviral Res., 167, 2019
4DOZ
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BU of 4doz by Molmil
Crystal structure of Pyrococcus furiosus Cmr2 (Cas10)
Descriptor: Putative uncharacterized protein, ZINC ION
Authors:Zhu, X, Ye, K.
Deposit date:2012-02-12
Release date:2012-03-21
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of Cmr2 suggests a nucleotide cyclase-related enzyme in type III CRISPR-Cas systems
Febs Lett., 586, 2012
3T1A
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BU of 3t1a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) in Complex with Inhibitor M05
Descriptor: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
Authors:Yan, Y, Reid, J.
Deposit date:2011-07-21
Release date:2011-10-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
1VK6
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BU of 1vk6 by Molmil
Crystal structure of NADH pyrophosphatase (1790429) from Escherichia coli k12 at 2.20 A resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NADH pyrophosphatase, ZINC ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2004-04-30
Release date:2004-05-11
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of NADH pyrophosphatase (1790429) from Escherichia coli k12 at 2.20 A resolution
To be published
3T19
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BU of 3t19 by Molmil
Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05
Descriptor: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
Authors:Yan, Y, Reid, J.
Deposit date:2011-07-21
Release date:2011-10-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
6DTW
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BU of 6dtw by Molmil
HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578
Descriptor: 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ...
Authors:Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W.
Deposit date:2018-06-18
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.742 Å)
Cite:Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 29, 2019
6DUG
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BU of 6dug by Molmil
Crystal structure of HIV-1 reverse transcriptase K101P mutant in complex with non-nucleoside inhibitor 25a
Descriptor: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
Deposit date:2018-06-20
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.225 Å)
Cite:Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
6DUH
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BU of 6duh by Molmil
Crystal structure of HIV-1 reverse transcriptase Y181I mutant in complex with non-nucleoside inhibitor 25a
Descriptor: 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ...
Authors:Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A.
Deposit date:2018-06-20
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018

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