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PDB: 127 results

5JVB
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1.95A resolution structure of PtxB from Trichodesmium erythraeum IMS101 in complex with phosphite
Descriptor: PHOSPHONATE, Phosphonate ABC transporter, periplasmic phosphonate-binding protein
Authors:Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
Deposit date:2016-05-11
Release date:2017-11-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
5VJB
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BU of 5vjb by Molmil
Guanidine-II riboswitch P2 hairpin dimer with 5-bromoU substitution from Pseudomonas aeruginosa
Descriptor: GUANIDINE, MAGNESIUM ION, RNA (5'-R(*GP*CP*GP*GP*GP*GP*AP*CP*GP*AP*CP*CP*CP*(5BU)P*GP*C)-3'), ...
Authors:Reiss, C.W, Strobel, S.A.
Deposit date:2017-04-19
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for ligand binding to the guanidine-II riboswitch.
RNA, 23, 2017
5VJ9
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BU of 5vj9 by Molmil
Guanidine-II riboswitch P2 hairpin dimer from Pseudomonas aeruginosa
Descriptor: GUANIDINE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Reiss, C.W, Strobel, S.A.
Deposit date:2017-04-19
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structural basis for ligand binding to the guanidine-II riboswitch.
RNA, 23, 2017
1AUI
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BU of 1aui by Molmil
HUMAN CALCINEURIN HETERODIMER
Descriptor: CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ...
Authors:Kissinger, C.R, Parge, H.E, Knighton, D.R, Pelletier, L.A, Lewis, C.T, Tempczyk, A, Villafranca, J.E.
Deposit date:1997-08-27
Release date:1997-12-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
5MH6
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BU of 5mh6 by Molmil
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 A resolution)
Descriptor: 1,2-ETHANEDIOL, 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, ...
Authors:Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
Deposit date:2016-11-23
Release date:2018-06-06
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
5DNL
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BU of 5dnl by Molmil
Crystal structure of IGPD from Pyrococcus furiosus in complex with (S)-C348
Descriptor: Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2S)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid
Authors:Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W.
Deposit date:2015-09-10
Release date:2016-09-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Angew.Chem.Int.Ed.Engl., 55, 2016
5DNX
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BU of 5dnx by Molmil
Crystal structure of IGPD from Pyrococcus furiosus in complex with (R)-C348
Descriptor: Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION, [(2R)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]phosphonic acid
Authors:Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W.
Deposit date:2015-09-10
Release date:2016-10-05
Last modified:2016-10-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Angew.Chem.Int.Ed.Engl., 55, 2016
5ELW
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BU of 5elw by Molmil
A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (R)-C348, to 1.36A resolution
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W.
Deposit date:2015-11-05
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Angew.Chem.Int.Ed.Engl., 55, 2016
5LQ8
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BU of 5lq8 by Molmil
1.52 A resolution structure of PhnD1 from Prochlorococcus marinus (MIT 9301) in complex with methylphosphonate
Descriptor: METHYLPHOSPHONIC ACID ESTER GROUP, Putative phosphonate binding protein for ABC transporter
Authors:Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
Deposit date:2016-08-16
Release date:2017-12-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
5EKW
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BU of 5ekw by Molmil
A. thaliana IGPD2 in complex with the racemate of the triazole-phosphonate inhibitor, C348
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W.
Deposit date:2015-11-04
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Angew.Chem.Int.Ed.Engl., 55, 2016
5EL9
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BU of 5el9 by Molmil
A. thaliana IGPD2 in complex with the triazole-phosphonate inhibitor, (S)-C348, to 1.1A resolution
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Imidazoleglycerol-phosphate dehydratase 2, ...
Authors:Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R.C, Hawkes, T.R, Baker, P.J, Rice, D.W.
Deposit date:2015-11-04
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Angew.Chem.Int.Ed.Engl., 55, 2016
5LV1
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BU of 5lv1 by Molmil
2.12 A resolution structure of PtxB from Prochlorococcus marinus (MIT 9301) in complex with phosphite
Descriptor: PtxB, oxidanylphosphinate
Authors:Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
Deposit date:2016-09-12
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
5LBM
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BU of 5lbm by Molmil
The asymmetric tetrameric structure of the formaldehyde sensing transcriptional repressor FrmR from Escherichia coli
Descriptor: FORMYL GROUP, Transcriptional repressor FrmR
Authors:Bisson, C, Baker, P.J, Green, J, Chivers, P.T.
Deposit date:2016-06-16
Release date:2016-12-21
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The mechanism of a formaldehyde-sensing transcriptional regulator.
Sci Rep, 6, 2016
5LQ5
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BU of 5lq5 by Molmil
1.46 A resolution structure of PhnD1 from Prochlorococcus marinus (MIT 9301) in complex with phosphite
Descriptor: PHOSPHITE ION, Putative phosphonate binding protein for ABC transporter
Authors:Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
Deposit date:2016-08-16
Release date:2017-12-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
5LQ1
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BU of 5lq1 by Molmil
1.41 A resolution structure of PtxB from Trichodesmium erythraeum IMS101 in complex with methylphosphonate
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, METHYLPHOSPHONIC ACID ESTER GROUP, ...
Authors:Bisson, C, Adams, N.B.P, Polyviou, D, Bibby, T.S, Hunter, C.N, Hitchcock, A.
Deposit date:2016-08-15
Release date:2017-12-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
5ME4
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BU of 5me4 by Molmil
The structure of HtxB from Pseudomonas stutzeri in complex with hypophosphite to 1.52 A resolution
Descriptor: Probable phosphite transport system-binding protein HtxB, phosphinate
Authors:Bisson, C, Hitchcock, A.
Deposit date:2016-11-14
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The molecular basis of phosphite and hypophosphite recognition by ABC-transporters.
Nat Commun, 8, 2017
4QNJ
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BU of 4qnj by Molmil
The structure of wt A. thaliana IGPD2 in complex with Mn2+ and formate at 1.3A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W.
Deposit date:2014-06-18
Release date:2015-06-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
4QNK
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BU of 4qnk by Molmil
The structure of wt A. thaliana IGPD2 in complex with Mn2+ and phosphate
Descriptor: 1,2-ETHANEDIOL, Imidazoleglycerol-phosphate dehydratase 2, chloroplastic, ...
Authors:Bisson, C, Britton, K.L, Sedelnikova, S.E, Rodgers, H.F, Eadsforth, T.C, Viner, R, Hawkes, T.R, Baker, P.J, Rice, D.W.
Deposit date:2014-06-18
Release date:2015-06-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
6CK4
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BU of 6ck4 by Molmil
G96A mutant of the PRPP riboswitch from T. mathranii bound to ppGpp
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5',3'-TETRAPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Reiss, C.W, Knappenberger, A.J, Strobel, S.A.
Deposit date:2018-02-27
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.097 Å)
Cite:Structures of two aptamers with differing ligand specificity reveal ruggedness in the functional landscape of RNA.
Elife, 7, 2018
3CJ0
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BU of 3cj0 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with small molecule fragments
Descriptor: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid, RNA-directed RNA polymerase
Authors:Kissinger, c.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
5MH5
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BU of 5mh5 by Molmil
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 A resolution)
Descriptor: 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, MAGNESIUM ION, ...
Authors:Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
Deposit date:2016-11-23
Release date:2018-05-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
4MU4
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BU of 4mu4 by Molmil
The form B structure of an E21Q catalytic mutant of A. thaliana IGPD2 in complex with Mn2+ and its substrate, 2R3S-IGP, to 1.41 A resolution
Descriptor: (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, 1,2-ETHANEDIOL, Imidazoleglycerol-phosphate dehydratase 2, ...
Authors:Bisson, C, Britton, K.L, Sedelnikova, S.E, Baker, P.J, Rice, D.W.
Deposit date:2013-09-20
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Crystal Structures Reveal that the Reaction Mechanism of Imidazoleglycerol-Phosphate Dehydratase Is Controlled by Switching Mn(II) Coordination.
Structure, 23, 2015
3CJ3
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BU of 3cj3 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: 4-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Kissinger, c.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3CJ2
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BU of 3cj2 by Molmil
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Descriptor: 4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Kissinger, c.
Deposit date:2008-03-12
Release date:2008-04-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
5MHA
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BU of 5mha by Molmil
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with a mixture of 2-ketohexanoic acid and 2-hydroxyhexanoic acid, and NADPH (1.57 A resolution)
Descriptor: (2R)-2-hydroxyhexanoic acid, 1,2-ETHANEDIOL, 2-Ketohexanoic acid, ...
Authors:Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
Deposit date:2016-11-23
Release date:2018-05-09
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published

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