1JKH
 
 | | CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH DMP-266(EFAVIRENZ) | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 RT, A-CHAIN, ... | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-12 | | Release date: | 2001-10-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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1JLG
 | | CRYSTAL STRUCTURE OF Y188C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH UC-781 | | Descriptor: | 2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE, HIV-1 RT A-chain, HIV-1 RT B-chain | | Authors: | Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2001-07-16 | | Release date: | 2001-10-03 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
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1C1B
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GCA-186 | | Descriptor: | 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Hopkins, A.L, Ren, J, Tanaka, H, Baba, B, Okamato, M, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-21 | | Release date: | 2000-07-21 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.
J.Med.Chem., 42, 1999
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1C1C
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH TNK-6123 | | Descriptor: | 6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Hopkins, A.L, Ren, J, Tanaka, H, Baba, M, Okamato, M, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-21 | | Release date: | 2000-07-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Design of MKC-442 (emivirine) analogues with improved activity against drug-resistant HIV mutants.
J.Med.Chem., 42, 1999
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3JB4
 | | 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: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of Ljungan virus provides insight into genome packaging of this picornavirus.
Nat Commun, 6, 2015
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1DTT
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2 (PETT130A94) | | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA | | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-01-13 | | Release date: | 2000-04-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
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1DTQ
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-1 (PETT131A94) | | Descriptor: | HIV-1 RT A-CHAIN, HIV-1 RT B-CHAIN, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA | | Authors: | Ren, J, Diprose, J, Warren, J, Esnouf, R.M, Bird, L.E, Ikemizu, S, Slater, M, Milton, J, Balzarini, J, Stuart, D.I, Stammers, D.K. | | Deposit date: | 2000-01-13 | | Release date: | 2000-03-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses.
J.Biol.Chem., 275, 2000
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1C0U
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+50.0934 | | Descriptor: | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-19 | | Release date: | 2000-07-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
J.Med.Chem., 42, 1999
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1C0T
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH BM+21.1326 | | Descriptor: | (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE, HIV-1 REVERSE TRANSCRIPTASE (A-CHAIN), HIV-1 REVERSE TRANSCRIPTASE (B-CHAIN) | | Authors: | Ren, J, Esnouf, R.M, Hopkins, A.L, Stuart, D.I, Stammers, D.K. | | Deposit date: | 1999-07-19 | | Release date: | 2000-07-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies.
J.Med.Chem., 42, 1999
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2J7O
 | | STRUCTURE OF THE RNAI POLYMERASE FROM NEUROSPORA CRASSA | | Descriptor: | MAGNESIUM ION, RNA DEPENDENT RNA POLYMERASE | | Authors: | Salgado, P.S, Koivunen, M.R.L, Makeyev, E.V, Bamford, D.H, Stuart, D.I, Grimes, J.M. | | Deposit date: | 2006-10-13 | | Release date: | 2006-12-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The Structure of an Rnai Polymerase Links RNA Silencing and Transcription.
Plos Biol., 4, 2006
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6F5U
 | | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH BEPRIDIL | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bepridil, DIMETHYL SULFOXIDE, ... | | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | | Deposit date: | 2017-12-03 | | Release date: | 2018-01-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection.
J. Med. Chem., 61, 2018
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8RT1
 | | BTV15 VP5 at pH 9.0 | | Descriptor: | Outer capsid protein VP5 | | Authors: | Sutton, G.C, Stuart, D.I. | | Deposit date: | 2024-01-25 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The effect of pH on the structure of Bluetongue virus VP5.
J.Gen.Virol., 105, 2024
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7QNY
 | | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with COVOX-58 and COVOX-158 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2021-12-23 | | Release date: | 2022-01-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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8CMA
 | | SARS-CoV-2 Delta-RBD complexed with BA.4/5-35 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-35 heavy chain, BA.4/5-35 light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2023-02-18 | | Release date: | 2024-02-28 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
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5GKA
 | | cryo-EM structure of human Aichi virus | | Descriptor: | Genome polyprotein, capsid protein VP0, capsid protein VP1 | | Authors: | Zhu, L, Wang, X.X, Ren, J.S, Tuthill, T.J, Fry, E.E, Rao, Z.H, Stuart, D.I. | | Deposit date: | 2016-07-04 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of human Aichi virus and implications for receptor binding
Nat Microbiol, 1, 2016
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5HNS
 | | Structure of glycosylated NPC1 luminal domain C | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Niemann-Pick C1 protein, ... | | Authors: | Zhao, Y, Ren, J, Harlos, K, Stuart, D.I. | | Deposit date: | 2016-01-18 | | Release date: | 2016-02-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of glycosylated NPC1 luminal domain C reveals insights into NPC2 and Ebola virus interactions.
Febs Lett., 590, 2016
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6T40
 | | Bovine enterovirus F3 in complex with a Cysteinylglycine dipeptide | | Descriptor: | CHLORIDE ION, CYSTEINE, GLYCEROL, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | | Deposit date: | 2019-10-11 | | Release date: | 2020-08-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Glutathione facilitates enterovirus assembly by binding at a druggable pocket.
Commun Biol, 3, 2020
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6T48
 | | Bovine enterovirus F3 in complex with glutathione and a Cysteinylglycine dipeptide | | Descriptor: | CHLORIDE ION, CYSTEINE, GLUTATHIONE, ... | | Authors: | Duyvesteyn, H.M.E, Ren, J, Walter, T.S, Fry, E.E, Stuart, D.I. | | Deposit date: | 2019-10-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Glutathione facilitates enterovirus assembly by binding at a druggable pocket.
Commun Biol, 3, 2020
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7QNW
 | | The receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with Beta-55 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Beta-55 heavy chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2021-12-23 | | Release date: | 2022-01-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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7QNX
 | | The receptor binding domain of SARS-CoV-2 spike glycoprotein in complex with Beta-55 and EY6A Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-55 heavy chain, Beta-55 light chain, ... | | Authors: | Zhou, D, Ren, J, Stuart, D.I. | | Deposit date: | 2021-12-23 | | Release date: | 2022-01-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | SARS-CoV-2 Omicron-B.1.1.529 leads to widespread escape from neutralizing antibody responses.
Cell, 185, 2022
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5MUV
 | | 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
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5MUW
 | | 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
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5JOM
 | | X-ray structure of CO-bound sperm whale myoglobin using a fixed target crystallography chip | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Oghbaey, S, Sarracini, A, Ginn, H.M, Pare-Labrosse, O, Kuo, A, Marx, A, Epp, S.W, Sherrell, D.A, Eger, B.T, Zhong, Y, Loch, R, Mariani, V, Alonso-Mori, R, Nelson, S, Lemke, H.T, Owen, R.L, Pearson, A.R, Stuart, D.I, Ernst, O.P, Mueller-Werkmeister, H.M, Miller, R.J.D. | | Deposit date: | 2016-05-02 | | Release date: | 2016-08-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fixed target combined with spectral mapping: approaching 100% hit rates for serial crystallography.
Acta Crystallogr D Struct Biol, 72, 2016
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5JQ3
 | | Crystal structure of Ebola glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ... | | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein.
Nature, 535, 2016
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5JQB
 | | Crystal structure of Ebola glycoprotein in complex with ibuprofen | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein 1,Envelope glycoprotein 1,Envelope glycoprotein 1, Envelope glycoprotein 2, ... | | Authors: | Zhao, Y, Ren, J, Stuart, D.I. | | Deposit date: | 2016-05-04 | | Release date: | 2016-06-29 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Toremifene interacts with and destabilizes the Ebola virus glycoprotein.
Nature, 535, 2016
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