4ZTV
 
 | | Non-anthranilate-like inhibitor (TAMU-A7) complexed with anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis in absence of PRPP | | Descriptor: | 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione, Anthranilate phosphoribosyltransferase | | Authors: | Evans, G.L, Eom, J, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-05-15 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Bioactive non-anthranilate-like fragment-like inhibitor provides alternative starting point for inhibitor design against anthranilate phosphoribosyl transferase from Mycobacterium tuberculosis.
To be Published
|
|
5ESO
 | | Crystal Structure of M. tuberculosis MenD with ThDP, Mg2+ and Isochorismate bound | | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, BETA-MERCAPTOETHANOL, ... | | Authors: | Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. | | Deposit date: | 2015-11-16 | | Release date: | 2016-06-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
|
|
5ESS
 | | Crystal Structure of M. tuberculosis MenD bound to Mg2+ and covalent intermediate I (a ThDP and decarboxylated 2-oxoglutarate adduct) | | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, 4-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3 -ium-2-yl]-4-oxidanyl-butanoic acid, ACETATE ION, ... | | Authors: | Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. | | Deposit date: | 2015-11-17 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
|
|
5ESU
 | | Crystal Structure of M. tuberculosis MenD bound to Mg2+ and Covalent Intermediate II (a ThDP + de-carboxylated 2-oxoglutarate + Isochorismate adduct) | | Descriptor: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, BETA-MERCAPTOETHANOL, ... | | Authors: | Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. | | Deposit date: | 2015-11-17 | | Release date: | 2016-06-22 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
|
|
4N31
 | |
5BO3
 | |
5ERX
 | | Crystal Structure of APO MenD from M. tuberculosis - I222 | | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | | Authors: | Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. | | Deposit date: | 2015-11-16 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.729 Å) | | Cite: | Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
|
|
5ESD
 | | Crystal Structure of M. tuberculosis MenD bound to ThDP and Mn2+ | | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION, THIAMINE DIPHOSPHATE | | Authors: | Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. | | Deposit date: | 2015-11-16 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms.
Structure, 24, 2016
|
|
5CYY
 | |
4NWZ
 | | Structure of bacterial type II NADH dehydrogenase from Caldalkalibacillus thermarum at 2.5A resolution | | Descriptor: | FAD-dependent pyridine nucleotide-disulfide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Nakatani, Y, Heikal, A, Lott, J.S, Sazanov, L.A, Baker, E.N, Cook, G.M. | | Deposit date: | 2013-12-07 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the bacterial type II NADH dehydrogenase: a monotopic membrane protein with an essential role in energy generation.
Mol.Microbiol., 91, 2014
|
|
5CW8
 | | Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-4-cholesten-26-oyl-CoA | | Descriptor: | HTH-type transcriptional repressor KstR, S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name), TRIETHYLENE GLYCOL | | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-07-27 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
|
|
5CXG
 | | Crystal structure of Mycobacterium tuberculosis KstR in complex with PEG | | Descriptor: | DI(HYDROXYETHYL)ETHER, HTH-type transcriptional repressor KstR, TRIETHYLENE GLYCOL | | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-07-28 | | Release date: | 2016-02-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1001 Å) | | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
|
|
4NI6
 | |
5CXI
 | | Crystal structure of Mycobacterium tuberculosis KstR in complex with 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA (4-BNC-CoA) | | Descriptor: | 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA, HTH-type transcriptional repressor KstR | | Authors: | Ho, N.A.T, Dawes, S, Kendall, S, Casabon, I, Crowe, A.M, Baker, E.N, Eltis, L.D, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-07-29 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure of the Transcriptional Repressor KstR in Complex with CoA Thioester Cholesterol Metabolites Sheds Light on the Regulation of Cholesterol Catabolism in Mycobacterium tuberculosis.
J.Biol.Chem., 291, 2016
|
|
4N5V
 | | Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-amino-4-fluorobenzoic acid, Anthranilate phosphoribosyltransferase, ... | | Authors: | Castell, A, Cookson, T.V.M, Parker, E.J, Baker, E.N, Lott, J.S. | | Deposit date: | 2013-10-10 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Biochem.J., 461, 2014
|
|
4NS3
 | |
1CB6
 | | STRUCTURE OF HUMAN APOLACTOFERRIN AT 2.0 A RESOLUTION. | | Descriptor: | CHLORIDE ION, Lactotransferrin | | Authors: | Jameson, G.B, Anderson, B.F, Norris, G.E, Thomas, D.H, Baker, E.N. | | Deposit date: | 1999-03-01 | | Release date: | 1999-03-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of human apolactoferrin at 2.0 A resolution. Refinement and analysis of ligand-induced conformational change.
Acta Crystallogr.,Sect.D, 54, 1998
|
|
1BKA
 | | OXALATE-SUBSTITUTED DIFERRIC LACTOFERRIN | | Descriptor: | FE (III) ION, LACTOFERRIN, OXALATE ION | | Authors: | Baker, H.M, Smith, C.A, Baker, E.N. | | Deposit date: | 1996-04-15 | | Release date: | 1996-11-08 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Anion binding by transferrins: importance of second-shell effects revealed by the crystal structure of oxalate-substituted diferric lactoferrin.
Biochemistry, 35, 1996
|
|
6BWH
 | |
6BWG
 | |
6UCD
 | |
3VOM
 | | Structure of a putative phosphoserine aminotransferase from mycobacterium tuberculosis | | Descriptor: | GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, Putative phosphoserine aminotransferase, ... | | Authors: | Coulibaly, F, Lassalle, E, Baker, H.M, Baker, E.N. | | Deposit date: | 2012-01-30 | | Release date: | 2012-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of phosphoserine aminotransferase from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 68, 2012
|
|
2RDG
 | | Crystal structure of Staphylococcal Superantigen-Like protein 11 in complex with Sialyl Lewis X | | Descriptor: | CITRIC ACID, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, POTASSIUM ION, ... | | Authors: | Chung, M.C, Wines, B.D, Baker, H, Langley, R.J, Baker, E.N, Fraser, J.D. | | Deposit date: | 2007-09-24 | | Release date: | 2007-12-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of staphylococcal superantigen-like protein 11 in complex with sialyl Lewis X reveals the mechanism for cell binding and immune inhibition
Mol.Microbiol., 66, 2007
|
|
2RDH
 | | Crystal structure of Staphylococcal Superantigen-Like protein 11 | | Descriptor: | PHOSPHATE ION, SODIUM ION, Superantigen-like protein 11 | | Authors: | Chung, M.C, Wines, B.D, Baker, H, Langley, R.J, Baker, E.N, Fraser, J.D. | | Deposit date: | 2007-09-24 | | Release date: | 2007-12-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of staphylococcal superantigen-like protein 11 in complex with sialyl Lewis X reveals the mechanism for cell binding and immune inhibition
Mol.Microbiol., 66, 2007
|
|
2BLG
 | | STRUCTURAL BASIS OF THE TANFORD TRANSITION OF BOVINE BETA-LACTOGLOBULIN FROM CRYSTAL STRUCTURES AT THREE PH VALUES; PH 8.2 | | Descriptor: | BETA-LACTOGLOBULIN | | Authors: | Qin, B.Y, Bewley, M.C, Creamer, L.K, Baker, H.M, Baker, E.N, Jameson, G.B. | | Deposit date: | 1998-08-29 | | Release date: | 1999-01-27 | | Last modified: | 2021-07-28 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structural basis of the Tanford transition of bovine beta-lactoglobulin.
Biochemistry, 37, 1998
|
|
