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110D
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BU of 110d by Molmil
ANTHRACYCLINE-DNA INTERACTIONS AT UNFAVOURABLE BASE BASE-PAIR TRIPLET-BINDING SITES: STRUCTURES OF D(CGGCCG)/DAUNOMYCIN AND D(TGGCCA)/ADRIAMYCIN COMPL
Descriptor: DAUNOMYCIN, DNA (5'-D(*CP*GP*GP*CP*CP*G)-3')
Authors:Leonard, G.A, Hambley, T.W, McAuley-Hecht, K, Brown, T, Hunter, W.N.
Deposit date:1993-01-21
Release date:1993-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Anthracycline-DNA interactions at unfavourable base-pair triplet-binding sites: structures of d(CGGCCG)/daunomycin and d(TGGCCA)/adriamycin complexes.
Acta Crystallogr.,Sect.D, 49, 1993
112D
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BU of 112d by Molmil
MOLECULAR STRUCTURE OF THE G.A BASE PAIR IN DNA AND ITS IMPLICATIONS FOR THE MECHANISM OF TRANSVERSION MUTATIONS
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*AP*GP*CP*G)-3')
Authors:Brown, T, Hunter, W.N, Kneale, G, Kennard, O.
Deposit date:1993-01-04
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular structure of the G.A base pair in DNA and its implications for the mechanism of transversion mutations.
Proc.Natl.Acad.Sci.USA, 83, 1986
114D
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BU of 114d by Molmil
INOSINE-ADENINE BASE PAIRS IN A B-DNA DUPLEX
Descriptor: DNA (5'-D(*CP*GP*CP*IP*AP*AP*TP*TP*AP*GP*CP*G)-3')
Authors:Corfield, P.W.R, Hunter, W.N, Brown, T, Robinson, P, Kennard, O.
Deposit date:1993-01-04
Release date:1993-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inosine.adenine base pairs in a B-DNA duplex.
Nucleic Acids Res., 15, 1987
119D
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BU of 119d by Molmil
CRYSTAL AND MOLECULAR STRUCTURE OF D(CGTAGATCTACG) AT 2.25 ANGSTROMS RESOLUTION
Descriptor: DNA (5'-D(*CP*GP*TP*AP*GP*AP*TP*CP*TP*AP*CP*G)-3'), MAGNESIUM ION
Authors:Leonard, G.A, Hunter, W.N.
Deposit date:1993-04-14
Release date:1993-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal and molecular structure of d(CGTAGATCTACG) at 2.25 A resolution.
J.Mol.Biol., 234, 1993
133D
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BU of 133d by Molmil
THE CRYSTAL STRUCTURE OF N4-METHYLCYTOSINE.GUANOSIN BASE-PAIRS IN THE SYNTHETIC HEXANUCLEOTIDE D(CGCGM(4)CG)
Descriptor: DNA (5'-D(*CP*GP*CP*GP*(C34)P*G)-3')
Authors:Cervi, A.R, Guy, A, Leonard, G.A, Teoule, R, Hunter, W.N.
Deposit date:1993-07-29
Release date:1994-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of N4-methylcytosine.guanosine base-pairs in the synthetic hexanucleotide d(CGCGm4CG).
Nucleic Acids Res., 21, 1993
5AQ1
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BU of 5aq1 by Molmil
Trypanosoma cruzi Glucose-6-phosphate Dehydrogenase in complex with G6P and NADPH
Descriptor: 6-O-phosphono-beta-D-glucopyranose, GLUCOSE-6-PHOSPHATE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mercaldi, G.F, Dawson, A, Hunter, W.N, Cordeiro, A.T.
Deposit date:2015-09-18
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Structure of a Trypanosoma Cruzi Glucose-6-Phosphate Dehydrogenase Reveals Differences from the Mammalian Enzyme.
FEBS Lett., 590, 2016
5AJ8
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BU of 5aj8 by Molmil
Tubulin Binding Cofactor C from Leishmania major
Descriptor: TUBULIN BINDING COFACTOR C
Authors:Barrack, K.L, Fyfe, P.K, Finney, A.J, Hunter, W.N.
Deposit date:2015-02-20
Release date:2015-04-15
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the C-Terminal Domain of Tubulin-Binding Cofactor C from Leishmania Major.
Mol.Biochem.Parasitol., 201, 2015
2V34
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BU of 2v34 by Molmil
IspE in complex with cytidine and ligand
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, 4-DIPHOSPHOCYTIDYL-2C-METHYL-D-ERYTHRITOL KINASE, CHLORIDE ION, ...
Authors:Sgraja, T, Alphey, M.S, Hunter, W.N.
Deposit date:2007-06-11
Release date:2007-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Characterization of Aquifex Aeolicus 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Kinase -Ligand Recognition in a Template for Antimicrobial Drug Discovery.
FEBS J., 275, 2008
2W8Z
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BU of 2w8z by Molmil
Geobacillus stearothermophilus 6-phosphogluconate dehydrogenase with bound 6- phosphogluconate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, ...
Authors:Cameron, S, Hunter, W.N.
Deposit date:2009-01-20
Release date:2009-04-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Geobacillus Stearothermophilus 6-Phosphogluconate Dehydrogenase, Complexed with 6-Phosphogluconate.
Acta Crystallogr.,Sect.F, 65, 2009
2W90
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BU of 2w90 by Molmil
Geobacillus stearothermophilus 6-phosphogluconate dehydrogenase with bound 6- phosphogluconate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, ...
Authors:Cameron, S, Martini, V.P, Iulek, J, Hunter, W.N.
Deposit date:2009-01-20
Release date:2009-04-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Geobacillus Stearothermophilus 6-Phosphogluconate Dehydrogenase, Complexed with 6-Phosphogluconate.
Acta Crystallogr.,Sect.F, 65, 2009
2VS0
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BU of 2vs0 by Molmil
Structural analysis of homodimeric staphylococcal aureus virulence factor EsxA
Descriptor: CACODYLATE ION, VIRULENCE FACTOR ESXA, ZINC ION
Authors:Sundaramoorthy, R, Fyfe, P.K, Hunter, W.N.
Deposit date:2008-04-17
Release date:2008-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of Staphylococcus Aureus Esxa Suggests a Contribution to Virulence by Action as a Transport Chaperone and/or Adaptor Protein.
J.Mol.Biol., 383, 2008
2VRZ
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BU of 2vrz by Molmil
Structural analysis of homodimeric staphylococcal aureus EsxA
Descriptor: VIRULENCE FACTOR ESXA, ZINC ION
Authors:Sundaramoorthy, R, Hunter, W.N.
Deposit date:2008-04-17
Release date:2008-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Staphylococcus Aureus Esxa Suggests a Contribution to Virulence by Action as a Transport Chaperone and/or Adaptor Protein.
J.Mol.Biol., 383, 2008
1O8W
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BU of 1o8w by Molmil
Radiation-reduced Tryparedoxin-I
Descriptor: TRYPAREDOXIN
Authors:Alphey, M.S, Bond, C.S, Hunter, W.N.
Deposit date:2002-12-09
Release date:2003-08-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Tryparedoxins from Crithidia Fasciculata and Trypanosoma Brucei: Photoreduction of the Redox Disulfide Using Synchrotron Radiation and Evidence for a Conformational Switch Implicated in Function
J.Biol.Chem., 278, 2003
2HKE
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BU of 2hke by Molmil
Mevalonate diphosphate decarboxylase from Trypanosoma brucei
Descriptor: Diphosphomevalonate decarboxylase, putative, SULFATE ION
Authors:Byres, E, Alphey, M.S, Hunter, W.N.
Deposit date:2006-07-04
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Trypanosoma brucei and Staphylococcus aureus Mevalonate Diphosphate Decarboxylase Inform on the Determinants of Specificity and Reactivity
J.Mol.Biol., 371, 2007
3GN2
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BU of 3gn2 by Molmil
Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00066730)
Descriptor: 1-(3,4-dichlorobenzyl)-1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Brenk, R, Hunter, W.N.
Deposit date:2009-03-16
Release date:2009-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
J.Med.Chem., 52, 2009
3H4V
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BU of 3h4v by Molmil
Selective screening and design to identify inhibitors of leishmania major pteridine reductase 1
Descriptor: METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase 1
Authors:Mcluskey, K, Gibellini, F, Hunter, W.N.
Deposit date:2009-04-21
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development
Proc.Natl.Acad.Sci.USA, 105, 2008
3GN1
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BU of 3gn1 by Molmil
Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116)
Descriptor: 1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Tulloch, L.B, Brenk, R, Hunter, W.N.
Deposit date:2009-03-16
Release date:2009-12-29
Last modified:2011-09-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
J.Med.Chem., 52, 2009
5FWH
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BU of 5fwh by Molmil
N-terminal FHA domain from EssC a component of the bacterial Type VII secretion apparatus
Descriptor: ESSC
Authors:Zoltner, M, Ng, W.M.A.V, Money, J.J, Fyfe, P.K, Kneuper, H, Palmer, T, Hunter, W.N.
Deposit date:2016-02-17
Release date:2016-04-06
Last modified:2016-10-12
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Essc: Domain Structures Inform on the Elusive Translocation Channel in the Type Vii Secretion System.
Biochem.J., 473, 2016
5G1S
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BU of 5g1s by Molmil
Open conformation of Francisella tularensis ClpP at 1.7 A
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Diaz-Saez, L, Pankov, G, Hunter, W.N.
Deposit date:2016-03-30
Release date:2016-10-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
5G1R
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BU of 5g1r by Molmil
Open conformation of Francisella tularensis ClpP at 1.9 A
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Diaz-Saez, L, Hunter, W.N.
Deposit date:2016-03-29
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
5FV0
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BU of 5fv0 by Molmil
The cytoplasmic domain of EssC
Descriptor: 3'-O-[2-(METHYLAMINO)BENZOYL]ADENOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), ADENOSINE-5'-TRIPHOSPHATE, ESX secretion system protein EccC, ...
Authors:Zoltner, M, Ng, W.M.A.V, Palmer, T, Hunter, W.N.
Deposit date:2016-02-01
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:EssC: domain structures inform on the elusive translocation channel in the Type VII secretion system.
Biochem. J., 473, 2016
5G1Q
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BU of 5g1q by Molmil
Compressed conformation of Francisella tularensis ClpP at 2.84 A
Descriptor: CLP PROTEASE PROTEOLYTIC SUBUNIT P
Authors:Diaz-Saez, L, Hunter, W.N.
Deposit date:2016-03-29
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Open and compressed conformations of Francisella tularensis ClpP.
Proteins, 85, 2017
3BMQ
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BU of 3bmq by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX5)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 6-(benzylsulfanyl)pyrimidine-2,4-diamine, ACETATE ION, ...
Authors:Martini, V.P, Iulek, J, Hunter, W.N.
Deposit date:2007-12-13
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3BMC
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BU of 3bmc by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and substrate (folate)
Descriptor: FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase
Authors:Tulloch, L.B, Hunter, W.N.
Deposit date:2007-12-13
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010
3BMN
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BU of 3bmn by Molmil
Structure of Pteridine Reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor (NADP+) and inhibitor (Compound AX3)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
Authors:Martini, V.P, Iulek, J, Tulloch, L.B, Hunter, W.N.
Deposit date:2007-12-13
Release date:2008-12-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-based design of pteridine reductase inhibitors targeting african sleeping sickness and the leishmaniases.
J.Med.Chem., 53, 2010

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