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PDB: 424 results

6ASU
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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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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
6BA7
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Cl-4-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-chloro-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-10-12
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.496 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
6AXB
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-naphthyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-09-06
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 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
6BU1
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-3-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2017-12-08
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.584 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
6C6O
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BU of 6c6o by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-4-OH-phenyldiketoacid
Descriptor: (2Z)-4-(2-bromo-4-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-19
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 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
6C7B
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with Methoxynaphthyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(6-methoxynaphthalen-2-yl)-4-oxobut-2-enoic acid, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-22
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.133 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
6C8P
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-phenyldiketoacid
Descriptor: (2Z)-4-(2-fluorophenyl)-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:2018-01-25
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.635 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
6C2X
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BU of 6c2x by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Br-6-Me-phenyldiketoacid
Descriptor: (2S)-4-(2-bromo-6-methylphenyl)-2-hydroxy-4-oxobutanoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-01-09
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 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
2Z9I
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BU of 2z9i by Molmil
Crystal structure of RV0983 from Mycobacterium tuberculosis- Proteolytically active form
Descriptor: GATV, PROBABLE SERINE PROTEASE PEPD, SVEQV
Authors:Palaninathan, S.K, Mohamedmohaideen, N.N, Sacchettini, J.C.
Deposit date:2007-09-20
Release date:2008-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and function of the virulence-associated high-temperature requirement A of Mycobacterium tuberculosis
Biochemistry, 47, 2008
2RHB
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BU of 2rhb by Molmil
Crystal structure of Nsp15-H234A mutant- Hexamer in asymmetric unit
Descriptor: Uridylate-specific endoribonuclease
Authors:Palaninathan, S, Bhardwaj, K, Alcantara, J.M.O, Guarino, L, Yi, L.L, Kao, C.C, Sacchettini, J.
Deposit date:2007-10-08
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and functional analyses of the severe acute respiratory syndrome coronavirus endoribonuclease Nsp15.
J.Biol.Chem., 283, 2008
7N8M
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BU of 7n8m by Molmil
PptT PAP(CoA) 8978B complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8L
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BU of 7n8l by Molmil
PptT PAP(CoA) 9016 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
7N8E
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BU of 7n8e by Molmil
PptT PAP(CoA) 9056 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-14
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
6OYY
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BU of 6oyy by Molmil
Crystal structure of Mtb aspartate decarboxylase, pyrazinoic acid complex
Descriptor: Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, PYRAZINE-2-CARBOXYLIC ACID
Authors:Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-05-15
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
6P02
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BU of 6p02 by Molmil
Crystal structure of Mtb aspartate decarboxylase, 6-Chlorine pyrazinoic acid complex
Descriptor: 6-chloropyrazine-2-carboxylic acid, Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain
Authors:Sun, Q, Li, X, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2019-05-16
Release date:2020-02-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Nat Commun, 11, 2020
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
1KZX
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BU of 1kzx by Molmil
Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T)
Descriptor: INTESTINAL FATTY ACID-BINDING PROTEIN (T54)
Authors:Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
Deposit date:2002-02-08
Release date:2003-07-01
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism
Biochemistry, 42, 2003
1KZW
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BU of 1kzw by Molmil
Solution structure of Human Intestinal Fatty acid binding protein
Descriptor: INTESTINAL FATTY ACID-BINDING PROTEIN (A54)
Authors:Zhang, F, Luecke, C, Baier, L.J, Sacchettini, J.C, Hamilton, J.A.
Deposit date:2002-02-08
Release date:2003-07-01
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of human intestinal fatty acid binding protein with a naturally-occurring single amino acid substitution (A54T) that is associated with altered lipid metabolism
Biochemistry, 42, 2003
1BYA
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BU of 1bya by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1BYB
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BU of 1byb by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1BYC
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BU of 1byc by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
1BYD
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BU of 1byd by Molmil
CRYSTAL STRUCTURES OF SOYBEAN BETA-AMYLASE REACTED WITH BETA-MALTOSE AND MALTAL: ACTIVE SITE COMPONENTS AND THEIR APPARENT ROLE IN CATALYSIS
Descriptor: BETA-AMYLASE, SULFATE ION, alpha-D-glucopyranose-(1-4)-2-deoxy-beta-D-arabino-hexopyranose
Authors:Mikami, B, Degano, M, Hehre, E.J, Sacchettini, J.C.
Deposit date:1994-01-25
Release date:1994-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of soybean beta-amylase reacted with beta-maltose and maltal: active site components and their apparent roles in catalysis.
Biochemistry, 33, 1994
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
2ZJ0
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BU of 2zj0 by Molmil
Crystal structure of Mycobacterium tuberculosis S-Adenosyl-L-homocysteine hydrolase in ternary complex with NAD and 2-fluoroadenosine
Descriptor: 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, 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 (2.42 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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