8QUL
 
 | | Hexameric HIV-1 CA in complex with DDD00100555 | | Descriptor: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUY
 | | Hexameric HIV-1 CA in complex with DDD01728501 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUI
 | | Hexameric HIV-1 CA in complex with DDD00024969 | | Descriptor: | Spacer peptide 1, ethyl (3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetate | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QVA
 | | Hexameric HIV-1 CA in complex with DDD01829894 | | Descriptor: | 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUW
 | | Hexameric HIV-1 CA in complex with DDD01044153 | | Descriptor: | (4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-2-one, 1,2-ETHANEDIOL, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QV9
 | | Hexameric HIV-1 CA in complex with DDD01829021 | | Descriptor: | 1,2-ETHANEDIOL, 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUH
 | | Hexameric HIV-1 CA in complex with DDD00057456 | | Descriptor: | 4-methylquinolin-2-ol, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUB
 | | Hexameric HIV-1 CA in complex with DDD00074110 | | Descriptor: | (1~{S})-1-phenyl-2,4-dihydro-1~{H}-isoquinolin-3-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUK
 | | Hexameric HIV-1 CA in complex with DDD00100439 | | Descriptor: | (phenylmethyl) 3-oxidanylidenepiperazine-1-carboxylate, 1,2-ETHANEDIOL, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUJ
 | | Hexameric HIV-1 CA in complex with DDD00100452 | | Descriptor: | 1,2-ETHANEDIOL, 3-(phenylmethyl)-1~{H}-imidazol-2-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QV4
 | | Hexameric HIV-1 CA in complex with DDD01728503 | | Descriptor: | 1,2-ETHANEDIOL, Spacer peptide 1, ethyl 2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethanoate | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QUX
 | | Hexameric HIV-1 CA in complex with DDD00100333 | | Descriptor: | 1,2-ETHANEDIOL, 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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8QV1
 | | Hexameric HIV-1 CA in complex with DDD01728505 | | Descriptor: | Spacer peptide 1, methyl 2-(2-oxidanylidene-1~{H}-quinolin-4-yl)ethanoate | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Application of an NMR/crystallography fragment screening platform for the assessment and rapid discovery of new HIV-CA binding fragments.
Chemmedchem, 2024
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2JLA
 | | Crystal structure of E.coli MenD, 2-succinyl-5-enolpyruvyl-6-hydroxy- 3-cyclohexadiene-1-carboxylate synthase - SeMet protein | | Descriptor: | 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE -1-CARBOXYLATE SYNTHASE, CHLORIDE ION, MANGANESE (II) ION, ... | | Authors: | Dawson, A, Fyfe, P.K, Hunter, W.N. | | Deposit date: | 2008-09-05 | | Release date: | 2008-10-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Specificity and Reactivity in Menaquinone Biosynthesis: The Structure of Escherichia Coli Mend (2-Succinyl-5-Enolpyruvyl-6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase).
J.Mol.Biol., 384, 2008
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4C8E
 | | IspF (Burkholderia cenocepacia) 2CMP complex | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, CYTIDINE-5'-MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | O'Rourke, P.E.F, Kalinowska-Tluscik, J, Fyfe, P.K, Dawson, A, Hunter, W.N. | | Deposit date: | 2013-09-30 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Ispf from Plasmodium Falciparum and Burkholderia Cenocepacia: Comparisons Inform Antimicrobial Drug Target Assessment.
Bmc Struct.Biol., 14, 2014
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4C82
 | | IspF (Plasmodium falciparum) unliganded structure | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, SULFATE ION, ZINC ION | | Authors: | O'Rourke, P.E.F, Kalinowska-Tluscik, J, Fyfe, P.K, Dawson, A, Hunter, W.N. | | Deposit date: | 2013-09-27 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Ispf from Plasmodium Falciparum and Burkholderia Cenocepacia: Comparisons Inform Antimicrobial Drug Target Assessment.
Bmc Struct.Biol., 14, 2014
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4C8I
 | | IspF (Burkholderia cenocepacia) citrate complex | | Descriptor: | 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, CITRIC ACID, PHOSPHATE ION, ... | | Authors: | O'Rourke, P.E.F, Kalinowska-Tluscik, J, Fyfe, P.K, Dawson, A, Hunter, W.N. | | Deposit date: | 2013-10-01 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Ispf from Plasmodium Falciparum and Burkholderia Cenocepacia: Comparisons Inform Antimicrobial Drug Target Assessment.
Bmc Struct.Biol., 14, 2014
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2JLC
 | | Crystal structure of E.coli MenD, 2-succinyl-5-enolpyruvyl-6-hydroxy- 3-cyclohexadiene-1-carboxylate synthase - native protein | | Descriptor: | 2-SUCCINYL-5-ENOLPYRUVYL-6-HYDROXY-3-CYCLOHEXENE -1-CARBOXYLATE SYNTHASE, MANGANESE (II) ION, THIAMINE DIPHOSPHATE | | Authors: | Dawson, A, Fyfe, P.K, Hunter, W.N. | | Deposit date: | 2008-09-08 | | Release date: | 2008-10-21 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Specificity and Reactivity in Menaquinone Biosynthesis: The Structure of Escherichia Coli Mend (2-Succinyl-5-Enolpyruvyl-6-Hydroxy-3-Cyclohexadiene-1-Carboxylate Synthase).
J.Mol.Biol., 384, 2008
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4C3O
 | | Structure and function of an oxygen tolerant NiFe hydrogenase from Salmonella | | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | | Authors: | Bowman, L, Flanagan, L, Fyfe, P.K, Parkin, A, Hunter, W.N, Sargent, F. | | Deposit date: | 2013-08-26 | | Release date: | 2014-01-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | How the Structure of the Large Subunit Controls Function in an Oxygen-Tolerant [Nife]-Hydrogenase.
Biochem.J., 458, 2014
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2Y4R
 | | CRYSTAL STRUCTURE OF 4-AMINO-4-DEOXYCHORISMATE LYASE FROM PSEUDOMONAS AERUGINOSA | | Descriptor: | 1,2-ETHANEDIOL, 4-AMINO-4-DEOXYCHORISMATE LYASE, CHLORIDE ION, ... | | Authors: | O'Rourke, P.E.F, Eadsforth, T.C, Fyfe, P.K, Shepard, S.M, Agacan, M, Hunter, W.N. | | Deposit date: | 2011-01-10 | | Release date: | 2011-01-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Pseudomonas Aeruginosa 4-Amino-4-Deoxychorismate Lyase: Spatial Conservation of an Active Site Tyrosine and Classification of Two Types of Enzyme.
Plos One, 6, 2011
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3ZUM
 | | Photosynthetic Reaction Centre Mutant with Phe L146 replaced with Ala | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Gibasiewicz, K, Pajzderska, M, Potter, J.A, Fyfe, P.K, Dobek, A, Brettel, K, Jones, M.R. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-).
J Phys Chem B, 115, 2011
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3ZUW
 | | Photosynthetic Reaction Centre Mutant with TYR L128 replaced with HIS | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (III) ION, ... | | Authors: | Gibasiewicz, K, Pajzderska, M, Potter, J.A, Fyfe, P.K, Dobek, A, Brettel, K, Jones, M.R. | | Deposit date: | 2011-07-20 | | Release date: | 2011-11-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Mechanism of Recombination of the P(+)H(A)(-) Radical Pair in Mutant Rhodobacter Sphaeroides Reaction Centers with Modified Free Energy Gaps between P(+)B(A)(-) and P(+)H(A)(-).
J Phys Chem B, 115, 2011
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4CQI
 | | Crystal structure of recombinant tubulin-binding cofactor A (TBCA) from Leishmania major | | Descriptor: | GLYCEROL, SULFATE ION, TUBULIN-BINDING COFACTOR A | | Authors: | Barrack, K.L, Fyfe, P.K, Hunter, W.N. | | Deposit date: | 2014-02-17 | | Release date: | 2014-11-26 | | Last modified: | 2015-05-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Structure of Tubulin-Binding Cofactor a from Leishmania Major Infers a Mode of Association During the Early Stages of Microtubule Assembly
Acta Crystallogr.,Sect.F, 71, 2015
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4ANO
 | | Crystal Structure Geobacillus thermodenitrificans EssB cytoplasmic fragment | | Descriptor: | CHLORIDE ION, ESSB, SODIUM ION | | Authors: | Zoltner, M, Fyfe, P, Hunter, W.N. | | Deposit date: | 2012-03-21 | | Release date: | 2012-12-05 | | Last modified: | 2013-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Architecture of Essb, an Integral Membrane Component of the Type Vii Secretion System.
Structure, 21, 2013
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2WX5
 | | Hexa-coordination of a bacteriochlorophyll cofactor in the Rhodobacter sphaeroides reaction centre | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Marsh, M, Frolov, D, Crouch, L.I, Fyfe, P.K, Robert, B, van Grondelle, R, Jones, M.R, Hadfield, A.T. | | Deposit date: | 2009-11-02 | | Release date: | 2010-02-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural and Spectroscopic Consequences of Hexa-Coordination of a Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre
Biochemistry, 49, 2010
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