8DYR
 
 | | BRD4-D1 in complex with BET inhibitor | | Descriptor: | (4P,6P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | | Deposit date: | 2022-08-04 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
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8E3W
 | | BRD4-D1 in complex with BET inhibitor | | Descriptor: | (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Gorman, M.A, Fitzgerald, C.G.D, White, J.M, Parker, M.W. | | Deposit date: | 2022-08-17 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Bromodomain and extraterminal protein-targeted probe enables tumour visualisation in vivo using positron emission tomography.
Chem.Commun.(Camb.), 59, 2023
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5T42
 | | Structure of the Ebola virus envelope protein MPER/TM domain and its interaction with the fusion loop explains their fusion activity | | Descriptor: | Envelope glycoprotein | | Authors: | Lee, J, Nyenhuis, D.A, Nelson, E.A, Cafiso, D.S, White, J.M, Tamm, L.K. | | Deposit date: | 2016-08-28 | | Release date: | 2017-08-30 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structure of the Ebola virus envelope protein MPER/TM domain and its interaction with the fusion loop explains their fusion activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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447D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' | | Descriptor: | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | | Deposit date: | 1999-01-18 | | Release date: | 2000-03-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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444D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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442D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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449D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | | Deposit date: | 1999-01-20 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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445D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', Benzimidazole derivative complex | | Descriptor: | 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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448D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODO-4-METHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3') | | Authors: | Clark, G.R, Squire, C.J, Martin, R.F, White, J. | | Deposit date: | 1999-01-20 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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443D
 | | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'/ BENZIMIDAZOLE DERIVATIVE COMPLEX | | Descriptor: | 2'-(3-IODOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J. | | Deposit date: | 1999-01-14 | | Release date: | 2000-02-02 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
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4GRV
 | | The crystal structure of the neurotensin receptor NTS1 in complex with neurotensin (8-13) | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Neurotensin 8-13, Neurotensin receptor type 1, ... | | Authors: | Noinaj, N, White, J.F, Shibata, Y, Love, J, Kloss, B, Xu, F, Gvozdenovic-Jeremic, J, Shah, P, Shiloach, J, Tate, C.G, Grisshammer, R. | | Deposit date: | 2012-08-27 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Structure of the agonist-bound neurotensin receptor.
Nature, 490, 2012
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1OK1
 | | Decay accelerating factor (cd55) : the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1OK9
 | | Decay accelerating factor (CD55): The structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, CHLORIDE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-21 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1OK3
 | | Decay accelerating factor (cd55): the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1OJV
 | | Decay accelerating factor (CD55): the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1OJY
 | | Decay accelerating factor (cd55): the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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1OK2
 | | Decay accelerating factor (CD55): the structure of an intact human complement regulator. | | Descriptor: | ACETATE ION, COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, ... | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, R.A, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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4FHH
 | | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2S)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, Nuclear receptor coactivator 2, Vitamin D3 receptor A | | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | | Deposit date: | 2012-06-06 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition.
Chem.Biol., 19, 2012
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4FHI
 | | Development of synthetically accessible non-secosteroidal hybrid molecules combining vitamin D receptor agonism and histone deacetylase inhibition | | Descriptor: | N-hydroxy-2-{4-[3-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-3-methylphenyl)pentan-3-yl]-2-methylphenoxy}acetamide, SRC-1, Vitamin Nuclear Receptor | | Authors: | Fischer, J, Wang, T.T, Kaldre, D, Rochel, N, Moras, D, White, J.H, Gleason, J.L. | | Deposit date: | 2012-06-06 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Synthetically accessible non-secosteroidal hybrid molecules combining vitamin d receptor agonism and histone deacetylase inhibition.
Chem.Biol., 19, 2012
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1OJW
 | | Decay accelerating factor (CD55): the structure of an intact human complement regulator. | | Descriptor: | COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, SULFATE ION | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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3LD8
 | | Structure of JMJD6 and Fab Fragments | | Descriptor: | Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, GLYCEROL, ... | | Authors: | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | | Deposit date: | 2010-01-12 | | Release date: | 2010-08-04 | | Last modified: | 2012-06-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3LDB
 | | Structure of JMJD6 complexd with ALPHA-KETOGLUTARATE and Fab Fragment. | | Descriptor: | 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, FE (III) ION, ... | | Authors: | Hong, X, Zang, J, White, J, Kappler, J.W, Wang, C, Zhang, G. | | Deposit date: | 2010-01-12 | | Release date: | 2010-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Interaction of JMJD6 with single-stranded RNA.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4CD8
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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2Y7C
 | | Atomic model of the Ocr-bound methylase complex from the Type I restriction-modification enzyme EcoKI (M2S1). Based on fitting into EM map 1534. | | Descriptor: | GENE 0.3 PROTEIN, TYPE I RESTRICTION ENZYME ECOKI M PROTEIN, TYPE-1 RESTRICTION ENZYME ECOKI SPECIFICITY PROTEIN | | Authors: | Kennaway, C.K, Obarska-Kosinska, A, White, J.H, Tuszynska, I, Cooper, L.P, Bujnicki, J.M, Trinick, J, Dryden, D.T.F. | | Deposit date: | 2011-01-31 | | Release date: | 2011-02-09 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | The Structure of M.Ecoki Type I DNA Methyltransferase with a DNA Mimic Antirestriction Protein.
Nucleic Acids Res., 37, 2009
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2Y7H
 | | Atomic model of the DNA-bound methylase complex from the Type I restriction-modification enzyme EcoKI (M2S1). Based on fitting into EM map 1534. | | Descriptor: | 5'-D(*GP*TP*TP*CP*AP*AP*CP*GP*TP*CP*GP*AP*CP*GP *TP*GP*CP*AP*AP*C)-3', 5'-D(*GP*TP*TP*GP*CP*AP*CP*GP*TP*CP*GP*AP*CP*GP *TP*TP*GP*AP*AP*C)-3', S-ADENOSYLMETHIONINE, ... | | Authors: | Kennaway, C.K, Obarska-Kosinska, A, White, J.H, Tuszynska, I, Cooper, L.P, Bujnicki, J.M, Trinick, J, Dryden, D.T.F. | | Deposit date: | 2011-01-31 | | Release date: | 2011-02-09 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (18 Å) | | Cite: | The Structure of M.Ecoki Type I DNA Methyltransferase with a DNA Mimic Antirestriction Protein.
Nucleic Acids Res., 37, 2009
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