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7F9V
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Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Halofuginone
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-07-04
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.816 Å)
Cite:TgPRS with double inhibitors
To Be Published
7F9P
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BU of 7f9p by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and azetidine
Descriptor: (2S)-azetidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-07-04
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:TgPRS with double inhibitors
To Be Published
7F9T
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BU of 7f9t by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and Halofuginone
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, ...
Authors:Malhotra, N, Manickam, Y, Sharma, A.
Deposit date:2021-07-04
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.489 Å)
Cite:TgPRS with double inhibitors
To Be Published
7F9S
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BU of 7f9s by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF)
Descriptor: 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, 4-[(3S)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, BETA-MERCAPTOETHANOL, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-07-04
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:TgPRS with double inhibitors
To Be Published
7F9Q
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BU of 7f9q by Molmil
Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L97 and Febrifugine
Descriptor: 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, 4-[(3S)-3-cyclopropyl-3-(hydroxymethyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, CALCIUM ION, ...
Authors:Manickam, Y, Malhotra, N, Sharma, A.
Deposit date:2021-07-04
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.796 Å)
Cite:TgPRS with double inhibitors
To Be Published
4GF9
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BU of 4gf9 by Molmil
Structural insights into the dual strategy of recognition of peptidoglycan recognition protein, PGRP-S: ternary complex of PGRP-S with LPS and fatty acid
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, GLYCEROL, Peptidoglycan recognition protein 1, ...
Authors:Sharma, P, Dube, D, Sinha, M, Yadav, S, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2012-08-03
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into the dual strategy of recognition by peptidoglycan recognition protein, PGRP-S: structure of the ternary complex of PGRP-S with lipopolysaccharide and stearic acid.
Plos One, 8, 2013
4I6S
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BU of 4i6s by Molmil
Structure of RSL mutant W76A in complex with L-fucose
Descriptor: 1,2-ETHANEDIOL, Putative fucose-binding lectin protein, TETRAETHYLENE GLYCOL, ...
Authors:Audfray, A, Arnaud, J, Varrot, A, Imberty, A.
Deposit date:2012-11-30
Release date:2013-07-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Reduction of lectin valency drastically changes glycolipid dynamics in membranes but not surface avidity
Acs Chem.Biol., 8, 2013
2YGH
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BU of 2ygh by Molmil
SAM-I riboswitch with a G2nA mutation in the Kink turn in complex with S-adenosylmethionine
Descriptor: POTASSIUM ION, S-ADENOSYLMETHIONINE, SAM-I RIBOSWITCH, ...
Authors:Schroeder, K, Daldrop, P, Lilley, D.
Deposit date:2011-04-17
Release date:2011-09-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:RNA Tertiary Interactions in a Riboswitch Stabilize the Structure of a Kink Turn.
Structure, 19, 2011
4UIB
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BU of 4uib by Molmil
Crystal structure of 3p in complex with tafCPB
Descriptor: (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ...
Authors:Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C.
Deposit date:2015-03-27
Release date:2015-06-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
1Q0L
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BU of 1q0l by Molmil
Crystal structure of DXR in complex with fosmidomycin
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
Deposit date:2003-07-16
Release date:2004-07-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
1Q0H
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BU of 1q0h by Molmil
Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, CITRIC ACID, ...
Authors:Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
Deposit date:2003-07-16
Release date:2004-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
1GO3
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BU of 1go3 by Molmil
Structure of an archeal homolog of the eukaryotic RNA polymerase II RPB4/RPB7 complex
Descriptor: DNA-DIRECTED RNA POLYMERASE SUBUNIT E, DNA-DIRECTED RNA POLYMERASE SUBUNIT F
Authors:Todone, F, Brick, P, Werner, F, Weinzierl, R.O.J, Onesti, S.
Deposit date:2001-10-17
Release date:2001-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of an Archaeal Homolog of the Eukaryotic RNA Polymerase II Rpb4/Rpb7 Complex
Mol.Cell, 8, 2001
2GRB
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BU of 2grb by Molmil
Crystal Structure of an RNA Quadruplex Containing Inosine-tetrad
Descriptor: 5'-R(*(U33)P*GP*IP*GP*GP*U)-3', POTASSIUM ION, STRONTIUM ION
Authors:Pan, B, Shi, K, Sundaralingam, M.
Deposit date:2006-04-24
Release date:2006-11-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of an RNA quadruplex containing inosine tetrad: implications for the roles of NH2 group in purine tetrads.
J.Mol.Biol., 363, 2006
1Q0Q
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BU of 1q0q by Molmil
Crystal structure of DXR in complex with the substrate 1-deoxy-D-xylulose-5-phosphate
Descriptor: 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mac Sweeney, A, Lange, R, D'Arcy, A, Douangamath, A, Surivet, J.-P, Oefner, C.
Deposit date:2003-07-17
Release date:2004-07-20
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of E.coli 1-deoxy-D-xylulose-5-phosphate reductoisomerase in a ternary complex with the antimalarial compound fosmidomycin and NADPH reveals a tight-binding closed enzyme conformation.
J.Mol.Biol., 345, 2005
2MT4
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BU of 2mt4 by Molmil
Solution structure of the N-terminal domain of NUSA from B. Subtilis
Descriptor: Transcription termination/antitermination protein NusA
Authors:Mobli, M, Lewis, P.J.
Deposit date:2014-08-12
Release date:2015-02-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:RNA polymerase-induced remodelling of NusA produces a pause enhancement complex.
Nucleic Acids Res., 43, 2015
3FRH
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BU of 3frh by Molmil
Structure of the 16S rRNA methylase RmtB, P21
Descriptor: 16S rRNA methylase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Schmitt, E, Galimand, M, Panvert, M, Dupechez, M, Courvalin, P, Mechulam, Y.
Deposit date:2009-01-08
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases
J.Mol.Biol., 388, 2009
3FRI
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BU of 3fri by Molmil
Structure of the 16S rRNA methylase RmtB, I222
Descriptor: 16S rRNA methylase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Schmitt, E, Galimand, M, Panvert, M, Dupechez, M, Courvalin, P, Mechulam, Y.
Deposit date:2009-01-08
Release date:2009-08-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases
J.Mol.Biol., 388, 2009
1WNU
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BU of 1wnu by Molmil
Structure of Archaeal Trans-Editing Protein AlaX in complex with L-serine
Descriptor: SERINE, ZINC ION, alanyl-tRNA synthetase
Authors:Sokabe, M, Okada, A, Nakashima, T, Yao, M, Tanaka, I.
Deposit date:2004-08-09
Release date:2005-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular basis of alanine discrimination in editing site
Proc.Natl.Acad.Sci.Usa, 102, 2005
3FZG
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BU of 3fzg by Molmil
Structure of the 16S rRNA methylase ArmA
Descriptor: 16S rRNA methylase, S-ADENOSYLMETHIONINE
Authors:Schmitt, E, Galimand, M, Panvert, M, Courvalin, P, Mechulam, Y.
Deposit date:2009-01-26
Release date:2009-08-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural bases for 16 S rRNA methylation catalyzed by ArmA and RmtB methyltransferases
J.Mol.Biol., 388, 2009
2ADT
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BU of 2adt by Molmil
NMR structure of a 30 kDa GAAA tetraloop-receptor complex.
Descriptor: 43-MER
Authors:Davis, J.H, Tonelli, M, Scott, L.G, Jaeger, L, Williamson, J.R, Butcher, S.E.
Deposit date:2005-07-20
Release date:2005-07-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:RNA Helical Packing in Solution: NMR Structure of a 30 kDa GAAA Tetraloop-Receptor Complex
J.Mol.Biol., 351, 2005
1WXO
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BU of 1wxo by Molmil
Structure of Archaeal Trans-Editing Protein AlaX in complex with zinc
Descriptor: ZINC ION, alanyl-tRNA synthetase
Authors:Sokabe, M, Okada, A, Nakashima, T, Yao, M, Tanaka, I.
Deposit date:2005-01-27
Release date:2005-07-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Molecular basis of alanine discrimination in editing site
Proc.Natl.Acad.Sci.Usa, 102, 2005
2MHI
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BU of 2mhi by Molmil
Solution structure of the CR4/5 domain of medaka telomerase RNA
Descriptor: Medaka telomerase RNA
Authors:Kim, N, Zhang, Q, Feigon, J.
Deposit date:2013-11-23
Release date:2013-12-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure and sequence elements of the CR4/5 domain of medaka telomerase RNA important for telomerase function.
Nucleic Acids Res., 42, 2014
2W53
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BU of 2w53 by Molmil
Structure of SmeT, the repressor of the Stenotrophomonas maltophilia multidrug efflux pump SmeDEF.
Descriptor: REPRESSOR, SULFATE ION
Authors:Mate, M.J, Romero, A, Hernandez, A, Martinez, J.L.
Deposit date:2008-12-04
Release date:2009-04-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Analysis of Smet, the Repressor of the Stenotrophomonas Maltophilia Multidrug Efflux Pump Smedef.
J.Biol.Chem., 284, 2009
8R5I
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BU of 8r5i by Molmil
In situ structure of the Vaccinia virus (WR) A4/A10 palisade trimer in mature virions by flexible fitting into a cryoET map
Descriptor: Core protein A10, Core protein A4
Authors:Calcraft, T, Hernandez-Gonzalez, M, Nans, A, Rosenthal, P.B, Way, M.
Deposit date:2023-11-16
Release date:2024-01-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9.7 Å)
Cite:Palisade structure in intact vaccinia virions.
Mbio, 15, 2024
7B73
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BU of 7b73 by Molmil
Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR
Authors:Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A.
Deposit date:2020-12-09
Release date:2021-04-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Febs J., 288, 2021

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