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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
6BA7
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BU of 6ba7 by Molmil
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
1XJU
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BU of 1xju by Molmil
Crystal structure of secreted inactive form of P1 phage endolysin Lyz
Descriptor: Lysozyme, SULFATE ION
Authors:Arockiasamy, A, Sacchettini, J.C.
Deposit date:2004-09-24
Release date:2005-01-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Disulfide isomerization after membrane release of its SAR domain activates P1 lysozyme.
Science, 307, 2005
6AXB
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BU of 6axb by Molmil
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
1YNK
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BU of 1ynk by Molmil
Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeteners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647
Descriptor: 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL, Ig gamma heavy chain, immunoglobulin kappa light chain
Authors:Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B.
Deposit date:2005-01-24
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
1YNV
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BU of 1ynv by Molmil
Asp79 makes a large, unfavorable contribution to the stability of RNase Sa
Descriptor: Guanyl-specific ribonuclease Sa, SULFATE ION
Authors:Trevino, S.R, Gokulan, K, Newsom, S, Thurlkill, R.L, Shaw, K.L, Mitkevich, V.A, Makarov, A.A, Sacchettini, J.C, Scholtz, J.M, Pace, C.N.
Deposit date:2005-01-25
Release date:2005-07-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Asp79 Makes a Large, Unfavorable Contribution to the Stability of RNase Sa.
J.Mol.Biol., 354, 2005
6BU1
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BU of 6bu1 by Molmil
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
1YNL
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BU of 1ynl by Molmil
Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeterners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647
Descriptor: 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Ig gamma heavy chain, Ig gamma light chain
Authors:Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B.
Deposit date:2005-01-24
Release date:2005-08-16
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
1XJT
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BU of 1xjt by Molmil
Crystal structure of active form of P1 phage endolysin Lyz
Descriptor: CITRIC ACID, Lysozyme
Authors:Arockiasamy, A, Sacchettini, J.C.
Deposit date:2004-09-24
Release date:2005-01-11
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Disulfide isomerization after membrane release of its SAR domain activates P1 lysozyme.
Science, 307, 2005
1ZXX
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BU of 1zxx by Molmil
The crystal structure of phosphofructokinase from Lactobacillus delbrueckii
Descriptor: 6-phosphofructokinase, SULFATE ION
Authors:Paricharttanakul, N.M, Ye, S, Menefee, A.L, Javid-Majd, F, Sacchettini, J.C, Reinhart, G.D.
Deposit date:2005-06-09
Release date:2005-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Kinetic and Structural Characterization of Phosphofructokinase from Lactobacillus bulgaricus.
Biochemistry, 44, 2005
6C7B
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BU of 6c7b by Molmil
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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BU of 6c8p by Molmil
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
1Y6X
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BU of 1y6x by Molmil
The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis
Descriptor: Phosphoribosyl-ATP pyrophosphatase
Authors:Javid-Majd, F, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-12-07
Release date:2005-03-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:The 1.25 A resolution structure of phosphoribosyl-ATP pyrophosphohydrolase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 64, 2008
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
6DL9
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BU of 6dl9 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-Cl-phenyldiketoacid
Descriptor: 4-(2,6-dichlorophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-05-31
Release date:2018-09-05
Last modified:2023-10-11
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
1Y4Y
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BU of 1y4y by Molmil
X-ray crystal structure of Bacillus stearothermophilus Histidine phosphocarrier protein (Hpr)
Descriptor: Phosphocarrier protein HPr, SULFATE ION
Authors:Sridharan, S, Razvi, A, Scholtz, J.M, Sacchettini, J.C.
Deposit date:2004-12-01
Release date:2005-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The HPr proteins from the thermophile Bacillus stearothermophilus can form domain-swapped dimers.
J.Mol.Biol., 346, 2005
1Y50
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BU of 1y50 by Molmil
X-ray crystal structure of Bacillus stearothermophilus Histidine phosphocarrier protein (Hpr) F29W mutant domain_swapped dimer
Descriptor: Phosphocarrier protein HPr, SULFATE ION
Authors:Sridharan, S, Razvi, A, Scholtz, J.M, Sacchettini, J.C.
Deposit date:2004-12-01
Release date:2005-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The HPr proteins from the thermophile Bacillus stearothermophilus can form domain-swapped dimers.
J.Mol.Biol., 346, 2005
6DLJ
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BU of 6dlj by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Nitro-phenyldiketoacid
Descriptor: (2Z)-2-hydroxy-4-(2-nitrophenyl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2018-06-01
Release date:2018-09-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.604 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
1Y8T
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BU of 1y8t by Molmil
Crystal Structure of RV0983 from Mycobacterium tuberculosis- Proteolytically active form
Descriptor: hypothetical protein Rv0983
Authors:Palaninathan, S.K, MohamedMohaideen, N.N, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-12-13
Release date:2005-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Possible role for HtrA homologs in mycobacterium tuberculosis
To be Published
1Y51
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BU of 1y51 by Molmil
X-ray crystal structure of Bacillus stearothermophilus Histidine phosphocarrier protein (Hpr) F29W mutant
Descriptor: Phosphocarrier protein HPr, SULFATE ION
Authors:Sridharan, S, Razvi, A, Scholtz, J.M, Sacchettini, J.C.
Deposit date:2004-12-01
Release date:2005-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The HPr proteins from the thermophile Bacillus stearothermophilus can form domain-swapped dimers.
J.Mol.Biol., 346, 2005
4FOG
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BU of 4fog by Molmil
Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid
Descriptor: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, Thymidylate synthase
Authors:Reddy, M.C.M, Bruning, J.B, Harshbarger, W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-20
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published
4FOX
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BU of 4fox by Molmil
Crystal Structure of Mtb ThyA in complex with dUMP and Raltitrexed
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase
Authors:Reddy, M.C.M, Bruning, J.B, Sacchettini, J.C, Harshbarger, W, TB Structural Genomics Consortium (TBSGC)
Deposit date:2012-06-21
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of binary and ternary complexes of thymidylate synthase (ThyA) from Mycobacterium tuberculosis: Insights into the selectivity and mode of inhibition
To be Published

221051

数据于2024-06-12公开中

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