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4Z4B
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BU of 4z4b by Molmil
2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
Descriptor: 5-(4-methylpiperazin-1-yl)-2'-(pyridin-2-yl)-1H,1'H-2,5'-bibenzimidazole, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Wee, J.-Y, Dobson, R.C.J, White, J.M.
Deposit date:2015-04-01
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9652 Å)
Cite:2-Pyridyl Hoechst - a New Generation DNA-Binding Radioprotector
To Be Published
8E17
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BU of 8e17 by Molmil
BRD4-D1 in complex with BET inhibitor
Descriptor: (4P,6M)-6-[1-(2-fluoroethyl)-1H-1,2,3-triazol-4-yl]-4-[5-(methanesulfonyl)-2-methoxyphenyl]-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:2022-08-09
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
8E3W
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BU of 8e3w by Molmil
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
8DYR
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BU of 8dyr by Molmil
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
5T42
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BU of 5t42 by Molmil
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
4CD6
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BU of 4cd6 by Molmil
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, 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 (1.64 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD8
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BU of 4cd8 by Molmil
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
4CD5
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BU of 4cd5 by Molmil
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus 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-1,4-BETA MANNANASE, PUTATIVE, ...
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 (1.1 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD7
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BU of 4cd7 by Molmil
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, 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 (1.65 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD4
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BU of 4cd4 by Molmil
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ...
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 (1.2 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
1DIR
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BU of 1dir by Molmil
CRYSTAL STRUCTURE OF A MONOCLINIC FORM OF DIHYDROPTERIDINE REDUCTASE FROM RAT LIVER
Descriptor: DIHYDROPTERIDINE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Varughese, K.I, Su, Y, Skinner, M.M, Matthews, D.A, Whitely, J.M, Xuong, N.H.
Deposit date:1994-04-18
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of a monoclinic form of dihydropteridine reductase from rat liver.
Acta Crystallogr.,Sect.D, 50, 1994
1SRR
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BU of 1srr by Molmil
CRYSTAL STRUCTURE OF A PHOSPHATASE RESISTANT MUTANT OF SPORULATION RESPONSE REGULATOR SPO0F FROM BACILLUS SUBTILIS
Descriptor: CALCIUM ION, SPORULATION RESPONSE REGULATORY PROTEIN
Authors:Madhusudan, Whiteley, J.M, Hoch, J.A, Zapf, J, Xuong, N.H, Varughese, K.I.
Deposit date:1996-04-10
Release date:1997-04-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a phosphatase-resistant mutant of sporulation response regulator Spo0F from Bacillus subtilis.
Structure, 4, 1996
1DHR
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BU of 1dhr by Molmil
CRYSTAL STRUCTURE OF RAT LIVER DIHYDROPTERIDINE REDUCTASE
Descriptor: DIHYDROPTERIDINE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Varughese, K.I, Skinner, M.M, Whiteley, J.M, Matthews, D.A, Xuong, N.H.
Deposit date:1992-03-30
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of rat liver dihydropteridine reductase.
Proc.Natl.Acad.Sci.USA, 89, 1992
1HDR
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BU of 1hdr by Molmil
THE CRYSTALLOGRAPHIC STRUCTURE OF A HUMAN DIHYDROPTERIDINE REDUCTASE NADH BINARY COMPLEX EXPRESSED IN ESCHERICHIA COLI BY A CDNA CONSTRUCTED FROM ITS RAT HOMOLOGUE
Descriptor: DIHYDROPTERIDINE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Varughese, K.I, Su, Y, Xuong, N.H, Whiteley, J.M.
Deposit date:1993-08-18
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystallographic structure of a human dihydropteridine reductase NADH binary complex expressed in Escherichia coli by a cDNA constructed from its rat homologue.
J.Biol.Chem., 268, 1993
1P33
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BU of 1p33 by Molmil
Pteridine reductase from Leishmania tarentolae complex with NADPH and MTX
Descriptor: METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Zhao, H, Bray, T, Ouellette, M, Zhao, M, Ferre, R.A, Matthews, D, Whiteley, J.M, Varughese, K.I.
Deposit date:2003-04-16
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structure of pteridine reductase (PTR1) from Leishmania tarentolae.
Acta Crystallogr.,Sect.D, 59, 2003
1NAT
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BU of 1nat by Molmil
CRYSTAL STRUCTURE OF SPOOF FROM BACILLUS SUBTILIS
Descriptor: SPORULATION RESPONSE REGULATORY PROTEIN
Authors:Madhusudan, Zapf, J, Hoch, J.A, Whiteley, J.M, Xuong, N.H, Varughese, K.I.
Deposit date:1997-09-09
Release date:1998-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A response regulatory protein with the site of phosphorylation blocked by an arginine interaction: crystal structure of Spo0F from Bacillus subtilis.
Biochemistry, 36, 1997
7BM5
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BU of 7bm5 by Molmil
Crystal structure of Fab1, the Fab fragment of the anti-BamA monoclonal antibody MAB1
Descriptor: Fab1 heavy chain, Fab1 light chain
Authors:White, P, Storek, K.M, Rutherford, S.T, Radford, S.E.
Deposit date:2021-01-19
Release date:2021-06-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding.
Nat Commun, 12, 2021
7BNQ
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BU of 7bnq by Molmil
Lateral-closed conformation of the lid-locked BAM complex (BamA E435C S665C, BamBDCE) by cryoEM
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Haysom, S.F.
Deposit date:2021-01-22
Release date:2021-06-02
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding.
Nat Commun, 12, 2021
1QV4
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BU of 1qv4 by Molmil
B-DNA Dodecamer CGTGAATTCACG complexed with minor groove binder methylproamine
Descriptor: 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
Authors:Squire, C.J, Clark, G.R.
Deposit date:2003-08-26
Release date:2004-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In vitro studies with methylproamine: a potent new radioprotector.
Cancer Res., 64, 2004
1QV8
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BU of 1qv8 by Molmil
B-DNA Dodecamer d(CGCGAATTCGCG)2 complexed with proamine
Descriptor: 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
Authors:Squire, C.J, Clark, G.R.
Deposit date:2003-08-27
Release date:2004-09-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:In vitro studies with methylproamine: a potent new radioprotector.
Cancer Res., 64, 2004
7NCS
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BU of 7ncs by Molmil
Lateral-open conformation of the lid-locked BAM complex (BamA E435C S665C, BamBDCE) bound by a bactericidal Fab fragment
Descriptor: Fab1 heavy chain, Fab1 light chain, Outer membrane protein assembly factor BamA, ...
Authors:Haysom, S.F, Machin, J.M.
Deposit date:2021-01-29
Release date:2021-06-02
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding.
Nat Commun, 12, 2021
7NBX
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BU of 7nbx by Molmil
Lateral-open conformation of the lid-locked BAM complex (BamA E435C S665C, BamBDCE) by cryoEM
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Haysom, S.F.
Deposit date:2021-01-28
Release date:2021-06-02
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding.
Nat Commun, 12, 2021
7ND0
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BU of 7nd0 by Molmil
lateral-open conformation of the wild-type BAM complex (BamABCDE) bound to a bactericidal Fab fragment
Descriptor: Fab1 heavy chain, Fab1 light chain, Outer membrane protein assembly factor BamA, ...
Authors:Iadanza, M.G, Haysom, S.H.
Deposit date:2021-01-29
Release date:2021-06-02
Last modified:2021-07-21
Method:ELECTRON MICROSCOPY (5.2 Å)
Cite:The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding.
Nat Commun, 12, 2021
8EUS
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BU of 8eus by Molmil
Crystal structure of NPC1 luminal domain C
Descriptor: NPC intracellular cholesterol transporter 1
Authors:Odongo, L, Pornillos, O.
Deposit date:2022-10-19
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Purification and structure of luminal domain C of human Niemann-Pick C1 protein.
Acta Crystallogr.,Sect.F, 79, 2023
2DCI
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BU of 2dci by Molmil
NMR structure of influenza HA fusion peptide mutant W14A in DPC in pH5
Descriptor: Hemagglutinin
Authors:Tamm, L.K, Lai, A.L.
Deposit date:2006-01-07
Release date:2006-01-24
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Fusion peptide of influenza hemagglutinin requires a fixed angle boomerang structure for activity
J.Biol.Chem., 281, 2006

 

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