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PDB: 369 results

4XT8
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimetrexate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-23
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT7
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimethoprim
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-23
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT6
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Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with the tetrahydropteridine ring of tetrahydrofolate (THF)
Descriptor: (6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rv2671
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-23
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT5
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BU of 4xt5 by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Rv2671
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-22
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT4
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Crystal structure of Rv2671 from Mycobacteirum tuberculosis in complex with dihydropteridine ring of dihydropteroic acid
Descriptor: 2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-22
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
3F4B
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BU of 3f4b by Molmil
Crystal structure of Plasmodium berghei Enoyl-acyl-carrier-protein reductase with TRICLOSAN
Descriptor: Enoyl-acyl carrier protein reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Sacchettini, J.C, Tsai, H.-C.
Deposit date:2008-10-31
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:The fatty acid biosynthesis enzyme FabI plays a key role in the development of liver-stage malarial parasites.
Cell Host Microbe, 4, 2008
2HH7
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BU of 2hh7 by Molmil
Crystal Structure of Cu(I) bound CsoR from Mycobacterium tuberculosis.
Descriptor: COPPER (I) ION, Hypothetical protein CsoR
Authors:Sacchettini, J.C, Ramesh, A.
Deposit date:2006-06-27
Release date:2006-12-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:CsoR is a novel Mycobacterium tuberculosis copper-sensing transcriptional regulator.
Nat.Chem.Biol., 3, 2007
2IFB
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BU of 2ifb by Molmil
CRYSTAL STRUCTURE OF RAT INTESTINAL FATTY-ACID-BINDING PROTEIN. REFINEMENT AND ANALYSIS OF THE ESCHERICHIA COLI-DRIVED PROTEIN WITH BOUND PALMITATE
Descriptor: INTESTINAL FATTY ACID BINDING PROTEIN, PALMITIC ACID
Authors:Sacchettini, J.C, Gordon, J.I, Banaszak, L.J.
Deposit date:1990-12-05
Release date:1992-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of rat intestinal fatty-acid-binding protein. Refinement and analysis of the Escherichia coli-derived protein with bound palmitate.
J.Mol.Biol., 208, 1989
4R67
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Human constitutive 20S proteasome in complex with carfilzomib
Descriptor: N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Sacchettini, J.C, Harshbarger, W.H.
Deposit date:2014-08-22
Release date:2015-02-11
Last modified:2015-02-18
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
4R3O
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Human Constitutive 20S Proteasome
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Sacchettini, J.C, Harshbarger, W.H.
Deposit date:2014-08-16
Release date:2015-01-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib.
Structure, 23, 2015
1IFB
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BU of 1ifb by Molmil
REFINED APOPROTEIN STRUCTURE OF RAT INTESTINAL FATTY ACID BINDING PROTEIN PRODUCED IN ESCHERICHIA COLI
Descriptor: INTESTINAL FATTY ACID BINDING PROTEIN
Authors:Sacchettini, J.C, Gordon, J.I, Banaszak, L.J.
Deposit date:1990-12-05
Release date:1992-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Refined apoprotein structure of rat intestinal fatty acid binding protein produced in Escherichia coli.
Proc.Natl.Acad.Sci.USA, 86, 1989
3OKR
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BU of 3okr by Molmil
Structure of Mtb apo 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD)
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, Heptamer peptide
Authors:Sacchettini, J.C, Reddy, M.C.M, Bruning, J.B, Thurman, C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-08-25
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Mycobacterium tuberculosis 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD): an antitubercular drug target
To be Published
1M1M
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BU of 1m1m by Molmil
X-RAY CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS BETA-KETOACYL-ACYL CARRIER PROTEIN SYNTHASE III (MTFABH)
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE III
Authors:Sacchettini, J.C, Sridharan, S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-06-19
Release date:2002-07-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Probing the mechanism of the Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III mtFabH: factors influencing catalysis and substrate specificity.
J.Biol.Chem., 280, 2005
6AU9
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BU of 6au9 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid
Descriptor: (2Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-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:2017-08-31
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 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
8GKF
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BU of 8gkf by Molmil
Phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis in complex with Raltitrexed.
Descriptor: 4'-phosphopantetheinyl transferase PptT, TOMUDEX
Authors:Krieger, I.V, Singh, A, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2023-03-18
Release date:2024-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Redirecting raltitrexed from cancer cell thymidylate synthase to Mycobacterium tuberculosis phosphopantetheinyl transferase.
Sci Adv, 10, 2024
4M2X
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BU of 4m2x by Molmil
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ)
Descriptor: ACETATE ION, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Jung, H, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2013-08-05
Release date:2014-11-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Selective inhibitors for dihydrofolate reductase from mycobacterium tuberculosis
To be Published
1UBV
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BU of 1ubv by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE SYNTHASE
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UBW
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BU of 1ubw by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE SYNTHASE, GERANYL DIPHOSPHATE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UBX
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BU of 1ubx by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: FARNESYL DIPHOSPHATE, FARNESYL DIPHOSPHATE SYNTHASE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
1UBY
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BU of 1uby by Molmil
STRUCTURE OF FARNESYL PYROPHOSPHATE SYNTHETASE
Descriptor: DIMETHYLALLYL DIPHOSPHATE, FARNESYL DIPHOSPHATE SYNTHASE, MAGNESIUM ION
Authors:Tarshis, L.C, Proteau, P, Poulter, C.D, Sacchettini, J.C.
Deposit date:1996-10-14
Release date:1997-03-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Regulation of product chain length by isoprenyl diphosphate synthases.
Proc.Natl.Acad.Sci.USA, 93, 1996
7RB1
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BU of 7rb1 by Molmil
Isocitrate Lyase-1 from Mycobacterium tuberculosis covalently modified by 5-descarboxy-5-nitro-D-isocitric acid
Descriptor: (3E)-3-(hydroxyimino)propanoic acid, GLYCEROL, GLYOXYLIC ACID, ...
Authors:Krieger, I.V, Mellott, D, Meek, T, Sacchettini, J.C.
Deposit date:2021-07-05
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism-Based Inactivation of Mycobacterium tuberculosis Isocitrate Lyase 1 by (2 R ,3 S )-2-Hydroxy-3-(nitromethyl)succinic acid.
J.Am.Chem.Soc., 143, 2021
5CC3
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BU of 5cc3 by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 6-bromo-1H-indole-2-carboxylic acid
Descriptor: 6-bromanyl-1H-indole-2-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-07-01
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs
To Be Published
5C9W
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BU of 5c9w by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with (Z)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide
Descriptor: (2E)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-06-29
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0928 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
5CC7
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Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-6-carboxylic acid
Descriptor: 1H-indole-6-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-07-01
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs
To Be Published
5CEW
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BU of 5cew by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-(pyridin-4-yl)thiazolidine-4-carboxylic acid
Descriptor: (2S,4S)-2-(pyridin-4-yl)-1,3-thiazolidine-4-carboxylic acid, MAGNESIUM ION, Malate synthase G
Authors:Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-07-07
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016

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数据于2024-10-02公开中

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