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PDB: 369 results

6APZ
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BU of 6apz by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-hydroxy-phenyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-18
Release date:2018-08-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6ASU
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BU of 6asu by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-methyl-phenyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(4-methylphenyl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-25
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.316 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
6AS6
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BU of 6as6 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 3-Prop-6-Me-phenyldiketoacid
Descriptor: (2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-08-23
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Anion-pi Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids.
J Chem Inf Model, 58, 2018
1HOC
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BU of 1hoc by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF H-2DB AT 2.4 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ANTIGEN-DETERMINANT SELECTION
Descriptor: 9-RESIDUE PEPTIDE, BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (H2-DB) (ALPHA CHAIN)
Authors:Young, A.C.M, Zhang, W, Sacchettini, J.C.
Deposit date:1994-01-02
Release date:1994-04-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The three-dimensional structure of H-2Db at 2.4 A resolution: implications for antigen-determinant selection
Cell(Cambridge,Mass.), 76, 1994
6U78
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BU of 6u78 by Molmil
Rv3722c in complex with glutamic acid
Descriptor: Aminotransferase, GLUTAMIC ACID, GLYCEROL, ...
Authors:Mandyoli, L, Sacchettini, J.C.
Deposit date:2019-08-31
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Aspartate aminotransferase Rv3722c governs aspartate-dependent nitrogen metabolism in Mycobacterium tuberculosis.
Nat Commun, 11, 2020
4WIE
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BU of 4wie by Molmil
Crystal structure of apo-PEPCK from Mycobacterium tuberculosis with glycerol
Descriptor: GLYCEROL, MANGANESE (II) ION, Phosphoenolpyruvate carboxykinase [GTP]
Authors:Kim, H.L, Sacchettini, J.C.
Deposit date:2014-09-25
Release date:2014-10-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal structure of apo-PEPCK from Mycobacterium tuberculosis with glycerol
To Be Published
4WPV
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BU of 4wpv by Molmil
Crystal Structure of E83A mutant of Mtb PEPCK in complex with Zn2+ and phosphate ion
Descriptor: GLYCEROL, PHOSPHATE ION, Phosphoenolpyruvate carboxykinase [GTP], ...
Authors:Kim, H.L, Sacchettini, J.C.
Deposit date:2014-10-21
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.672 Å)
Cite:Crystal Structure of E83A from Mtb PEPCK in complex with Zn2+ and phosphate ion
To Be Published
4WPT
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BU of 4wpt by Molmil
Crystal Structure of Mtb PEPCK in complex with PEP
Descriptor: GLYCEROL, PHOSPHATE ION, PHOSPHOENOLPYRUVATE, ...
Authors:Kim, H.L, Krieger, I.V, Sacchettini, J.C.
Deposit date:2014-10-21
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Mtb PEPCK in complex with PEP
To Be Published
4WPU
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BU of 4wpu by Molmil
Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, PHOSPHOENOLPYRUVATE, ...
Authors:Kim, H.L, Sacchettini, J.C.
Deposit date:2014-10-21
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of E83A mutant of Mtb PEPCK in complex with PEP and GDP
To Be Published
4WOU
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BU of 4wou by Molmil
Crystal Structure of Mtb PEPCK in complex with GDP and metals
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
Authors:Kim, H.L, Sacchettini, J.C.
Deposit date:2014-10-16
Release date:2015-11-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.122 Å)
Cite:Crystal Structure of Mtb PEPCK in complex with GDP and metals
To Be Published
4XRB
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BU of 4xrb by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis
Descriptor: DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RV2671
Authors:Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-20
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
6UX6
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BU of 6ux6 by Molmil
Cruzain covalently bound by a vinylsulfone compound
Descriptor: Cruzipain, GLYCEROL, Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-1-phenyl-4-(phenylsulfonyl)butan-2-yl]-L-phenylalaninamide
Authors:Zhai, X, Tang, S, Chenna, B.C, Meek, T.D, Sacchettini, J.C.
Deposit date:2019-11-06
Release date:2020-11-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Cruzain covalently bound by a vinylsulfone compound
To Be Published
6VB9
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BU of 6vb9 by Molmil
Covalent adduct of cis-2,3-epoxysuccinic acid with Isocitrate Lyase-1 from Mycobacterium tuberculosis
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, Isocitrate lyase, ...
Authors:Krieger, I.V, Pham, T.V, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-12-18
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
6UNC
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BU of 6unc by Molmil
The crystal structure of Phosphopantetheinyl Hydrolase (PptH) from Mycobacterium tuberculosis
Descriptor: FE (III) ION, MANGANESE (II) ION, Metallophos domain-containing protein
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-10-11
Release date:2020-04-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural insights into phosphopantetheinyl hydrolase PptH from Mycobacterium tuberculosis.
Protein Sci., 29, 2020
6W32
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BU of 6w32 by Molmil
Crystal structure of Sfh5
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Phosphatidylinositol transfer protein SFH5
Authors:Gulten, G, Khan, D, Aggarwal, A, Krieger, I, Sacchettini, J.C, Bankaitis, V.A.
Deposit date:2020-03-08
Release date:2020-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A Sec14-like phosphatidylinositol transfer protein paralog defines a novel class of heme-binding proteins.
Elife, 9, 2020
5H8U
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BU of 5h8u by Molmil
Crystal structure of mycobacterium tuberculosis wild-type malate synthase in complex with product malate
Descriptor: (2S)-2-hydroxybutanedioic acid, GLYOXYLIC ACID, MAGNESIUM ION, ...
Authors:Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-12-23
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5H8P
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BU of 5h8p by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in apo form
Descriptor: Malate synthase G
Authors:Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-12-23
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5H8M
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BU of 5h8m by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate
Descriptor: (2S)-2-hydroxybutanedioic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-12-23
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
6WSI
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BU of 6wsi by Molmil
Intact cis-2,3-epoxysuccinic acid bound to Isocitrate Lyase-1 from Mycobacterium tuberculosis
Descriptor: (2R,3S)-oxirane-2,3-dicarboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Krieger, I.V, Mellott, D, Meek, T.D, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2020-05-01
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Covalent Inactivation of Mycobacterium tuberculosis Isocitrate Lyase by cis -2,3-Epoxy-Succinic Acid.
Acs Chem.Biol., 16, 2021
6MJ1
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BU of 6mj1 by Molmil
Crystal structure of RefZ (regulator of FtsZ) from Bacillus subtilis
Descriptor: Probable HTH-type transcriptional regulator YttP
Authors:Krieger, I.V, Brown, E.E, Herman, J.K, Sacchettini, J.C.
Deposit date:2018-09-20
Release date:2019-03-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A DNA-Binding Protein Tunes Septum Placement during Bacillus subtilis Sporulation.
J.Bacteriol., 201, 2019
3IFB
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BU of 3ifb by Molmil
NMR STUDY OF HUMAN INTESTINAL FATTY ACID BINDING PROTEIN
Descriptor: INTESTINAL FATTY ACID BINDING PROTEIN
Authors:Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
Deposit date:1998-10-16
Release date:1998-10-21
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Solution structure of human intestinal fatty acid binding protein: implications for ligand entry and exit.
J.Biomol.NMR, 9, 1997
4UBE
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BU of 4ube by Molmil
CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, Adenosine kinase
Authors:Reddy, M.C.M, Palaninathan, S.K, Shetty, N.D, Owen, J.L, Watson, M.D, Sacchettini, J.C.
Deposit date:2014-08-12
Release date:2014-09-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:CRYSTAL STRUCTURE OF M TUBERCULOSIS ADENOSINE KINASE COMPLEXED WITH 2-FLURO ADENOSINE
TO BE PUBLISHED
2SBA
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BU of 2sba by Molmil
SOYBEAN AGGLUTININ COMPLEXED WITH 2,6-PENTASACCHARIDE
Descriptor: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
Authors:Dessen, A, Gupta, D, Sabesan, S, Brewer, C.F, Sacchettini, J.C.
Deposit date:1998-12-03
Release date:1998-12-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray crystal structure of the soybean agglutinin cross-linked with a biantennary analog of the blood group I carbohydrate antigen.
Biochemistry, 34, 1995
2QZ8
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BU of 2qz8 by Molmil
Crystal structure of Mycobacterium tuberculosis Leucine response regulatory protein (LrpA)
Descriptor: Probable transcriptional regulatory protein
Authors:Manchi, C.M.R, Gokulan, K, Ioerger, T, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-08-16
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Crystal structure of Mycobacterium tuberculosis LrpA, a leucine-responsive global regulator associated with starvation response.
Protein Sci., 17, 2008
2ZJ1
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BU of 2zj1 by Molmil
Crystal structure of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 3'-keto-aristeromycin
Descriptor: (2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentanone, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Reddy, M.C.M, Gokulan, K, Shetty, N.D, Owen, J.L, Ioerger, T.R, Sacchettini, J.C.
Deposit date:2008-02-29
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of Mycobacterium tuberculosis S-adenosyl-L-homocysteine hydrolase in ternary complex with substrate and inhibitors.
Protein Sci., 17, 2008

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