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6HRO
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BU of 6hro by Molmil
Crystal structure of Ebolavirus glycoprotein in complex with inhibitor 118a
Descriptor: 1-[2-[4-[4-(4-chlorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]-3-oxidanyl-phenoxy]ethyl]piperidin-1-ium-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
Authors:Ren, J, Zhao, Y, Stuart, D.I.
Deposit date:2018-09-27
Release date:2019-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based in Silico Screening Identifies a Potent Ebolavirus Inhibitor from a Traditional Chinese Medicine Library.
J.Med.Chem., 62, 2019
1RT7
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BU of 1rt7 by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC84
Descriptor: 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION
Authors:Ren, J, Stammers, D.K, Stuart, D.I.
Deposit date:1998-07-29
Release date:1999-07-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
1RT5
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BU of 1rt5 by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC10
Descriptor: HIV-1 REVERSE TRANSCRIPTASE, N-[4-CLORO-3-(T-BUTYLOXOME)PHENYL-2-METHYL-3-FURAN-CARBOTHIAMIDE, PHOSPHATE ION
Authors:Ren, J, Stammers, D.K, Stuart, D.I.
Deposit date:1998-07-29
Release date:1999-07-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
1RT6
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BU of 1rt6 by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC38
Descriptor: 1-METHYL ETHYL 2-CHLORO-5-[[[(1-METHYLETHOXY)THIOOXO]METHYL]AMINO]-BENZOATE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION
Authors:Ren, J, Stammers, D.K, Stuart, D.I.
Deposit date:1998-07-29
Release date:1999-07-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
1RT4
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BU of 1rt4 by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH UC781
Descriptor: 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 REVERSE TRANSCRIPTASE, PHOSPHATE ION
Authors:Ren, J, Stammers, D.K, Stuart, D.I.
Deposit date:1998-07-29
Release date:1999-07-29
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives.
Biochemistry, 37, 1998
5MUW
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BU of 5muw by Molmil
Atomic structure of P4 packaging enzyme fitted into a localized reconstruction of bacteriophage phi6 vertex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Packaging enzyme P4
Authors:Sun, Z, El Omari, K, Sun, X, Ilca, S, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T.
Deposit date:2017-01-14
Release date:2017-03-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
5MUV
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BU of 5muv by Molmil
Atomic structure fitted into a localized reconstruction of bacteriophage phi6 packaging hexamer P4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Packaging enzyme P4
Authors:Sun, Z, El Omari, K, Sun, X, Ilca, S, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T.
Deposit date:2017-01-14
Release date:2017-03-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
4IV1
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BU of 4iv1 by Molmil
Crystal structure of recombinant foot-and-mouth-disease virus A22 empty capsid
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Porta, C, Kotecha, A, Burman, A, Jackson, T, Ren, J, Loureiro, S, Jones, I.M, Fry, E.E, Stuart, D.I, Charleston, B.
Deposit date:2013-01-22
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational engineering of recombinant picornavirus capsids to produce safe, protective vaccine antigen.
Plos Pathog., 9, 2013
4IV3
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BU of 4iv3 by Molmil
Crystal structure of recombinant foot-and-mouth-disease virus A22-H2093C empty capsid
Descriptor: Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
Authors:Porta, C, Kotecha, A, Burman, A, Jackson, T, Ren, J, Loureiro, S, Jones, I.M, Fry, E.E, Stuart, D.I, Charleston, B.
Deposit date:2013-01-22
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rational engineering of recombinant picornavirus capsids to produce safe, protective vaccine antigen.
Plos Pathog., 9, 2013
4KQQ
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BU of 4kqq by Molmil
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid
Descriptor: (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
Deposit date:2013-05-15
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
4KQO
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BU of 4kqo by Molmil
Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with piperacillin
Descriptor: CHLORIDE ION, GLYCEROL, IMIDAZOLE, ...
Authors:Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
Deposit date:2013-05-15
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
3HHF
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BU of 3hhf by Molmil
Structure of CrgA regulatory domain, a LysR-type transcriptional regulator from Neisseria meningitidis.
Descriptor: CHLORIDE ION, Transcriptional regulator, LysR family
Authors:Sainsbury, S, Ren, J, Owens, R.J, Stuart, D.I, Oxford Protein Production Facility (OPPF)
Deposit date:2009-05-15
Release date:2009-07-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of CrgA from Neisseria meningitidis reveals a new octameric assembly state for LysR transcriptional regulators
Nucleic Acids Res., 37, 2009
3HHG
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BU of 3hhg by Molmil
Structure of CrgA, a LysR-type transcriptional regulator from Neisseria meningitidis.
Descriptor: Transcriptional regulator, LysR family
Authors:Sainsbury, S, Ren, J, Owens, R.J, Stuart, D.I, Oxford Protein Production Facility (OPPF)
Deposit date:2009-05-15
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structure of CrgA from Neisseria meningitidis reveals a new octameric assembly state for LysR transcriptional regulators
Nucleic Acids Res., 37, 2009
4JGY
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BU of 4jgy by Molmil
Crystal structure of human coxsackievirus A16 uncoating intermediate (space group P4232)
Descriptor: Polyprotein, capsid protein VP1, capsid protein VP2, ...
Authors:Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, Mcauley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2013-03-04
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Picornavirus uncoating intermediate captured in atomic detail.
Nat Commun, 4, 2013
4JGZ
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BU of 4jgz by Molmil
Crystal structure of human coxsackievirus A16 uncoating intermediate (space group I222)
Descriptor: Polyprotein, capsid protein VP1, capsid protein VP2, ...
Authors:Ren, J, Wang, X, Hu, Z, Gao, Q, Sun, Y, Li, X, Porta, C, Walter, T.S, Gilbert, R.J, Zhao, Y, Axford, D, Williams, M, McAuley, K, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2013-03-04
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Picornavirus uncoating intermediate captured in atomic detail.
Nat Commun, 4, 2013
4KQR
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BU of 4kqr by Molmil
CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH (5S)-Penicilloic Acid
Descriptor: (2S,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CHLORIDE ION, GLYCEROL, ...
Authors:Nettleship, J.E, Stuart, D.I, Owens, R.J, Ren, J.
Deposit date:2013-05-15
Release date:2013-11-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Binding of (5S)-Penicilloic Acid to Penicillin Binding Protein 3.
Acs Chem.Biol., 8, 2013
3JV9
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BU of 3jv9 by Molmil
The structure of a reduced form of OxyR from N. meningitidis
Descriptor: CHLORIDE ION, Transcriptional regulator, LysR family
Authors:Sainsbury, S, Ren, J, Stuart, D.I, Owens, R.J, Oxford Protein Production Facility (OPPF)
Deposit date:2009-09-16
Release date:2010-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:The structure of a reduced form of OxyR from Neisseria meningitidis
Bmc Struct.Biol., 10, 2010
5WTH
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BU of 5wth by Molmil
Cryo-EM structure for Hepatitis A virus complexed with FAB
Descriptor: FAB Heavy Chain, FAB Light Chain, Polyprotein, ...
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-12
Release date:2017-01-25
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WTF
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BU of 5wtf by Molmil
Cryo-EM structure for Hepatitis A virus empty particle
Descriptor: VP0, VP1, VP3
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3JB4
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BU of 3jb4 by Molmil
Structure of Ljungan virus: insight into picornavirus packaging
Descriptor: VP0, VP1, VP3
Authors:Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I.
Deposit date:2015-07-21
Release date:2015-10-21
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structure of Ljungan virus provides insight into genome packaging of this picornavirus.
Nat Commun, 6, 2015
5WTE
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BU of 5wte by Molmil
Cryo-EM structure for Hepatitis A virus full particle
Descriptor: VP1, VP2, VP3
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3KYJ
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BU of 3kyj by Molmil
Crystal structure of the P1 domain of CheA3 in complex with CheY6 from R. sphaeroides
Descriptor: CheY6 protein, Putative histidine protein kinase, SODIUM ION
Authors:Bell, C.H, Porter, S.L, Armitage, J.P, Stuart, D.I.
Deposit date:2009-12-06
Release date:2010-02-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Using structural information to change the phosphotransfer specificity of a two-component chemotaxis signalling complex
Plos Biol., 8, 2010
5WTG
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BU of 5wtg by Molmil
Crystal structure of the Fab fragment of anti-HAV antibody R10
Descriptor: FAB Heavy chain, FAB Light chain
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8QZR
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BU of 8qzr by Molmil
SARS-CoV-2 delta RBD complexed with BA.4/5-9 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-9 heavy chain, BA.4/5-9 light chain, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8QRG
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BU of 8qrg by Molmil
SARS-CoV-2 delta RBD complexed with XBB-2 Fab and NbC1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, NbC1, ...
Authors:Zhou, D, Ren, J, Stuart, D.I.
Deposit date:2023-10-07
Release date:2024-05-08
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024

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