4C0Z
 
 | | The N-terminal domain of the Streptococcus pyogenes pilus tip adhesin Cpa | | Descriptor: | ANCILLARY PROTEIN 2, CHLORIDE ION, GLYCEROL, ... | | Authors: | Linke-Winnebeck, C, Paterson, N, Baker, E.N. | | Deposit date: | 2013-08-08 | | Release date: | 2013-11-20 | | Last modified: | 2014-01-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Model for the Covalent Adhesion of the Streptococcus Pyogenes Pilus Through a Thioester Bond.
J.Biol.Chem., 289, 2014
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4A1O
 | | Crystal structure of Mycobacterium tuberculosis PurH complexed with AICAR and a novel nucleotide CFAIR, at 2.48 A resolution. | | Descriptor: | 5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, BIFUNCTIONAL PURINE BIOSYNTHESIS PROTEIN PURH, ... | | Authors: | Le Nours, J, Bulloch, E.M.M, Zhang, Z, Greenwood, D.R, Middleditch, M.J, Dickson, J.M.J, Baker, E.N. | | Deposit date: | 2011-09-17 | | Release date: | 2011-09-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural Analyses of a Purine Biosynthetic Enzyme from Mycobacterium Tuberculosis Reveal a Novel Bound Nucleotide.
J.Biol.Chem., 286, 2011
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2Z2W
 | | Human Wee1 kinase complexed with inhibitor PF0335770 | | Descriptor: | CHLORIDE ION, GLYCEROL, N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-9-YL]FORMAMIDE, ... | | Authors: | Squire, C.J, Baker, E.N. | | Deposit date: | 2007-05-29 | | Release date: | 2008-05-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Synthesis and Structure-Activity Relationships of 9-Amino-4-(2-chlorophenyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones and Related Formamides as Inhibitors of the Wee1 and Chk1 Checkpoint Kinases
To be Published
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3B2M
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3B4Y
 | | FGD1 (Rv0407) from Mycobacterium tuberculosis | | Descriptor: | CITRATE ANION, COENZYME F420, PROBABLE F420-DEPENDENT GLUCOSE-6-PHOSPHATE DEHYDROGENASE FGD1 | | Authors: | Bashiri, G, Squire, C.J, Moreland, N.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2007-10-25 | | Release date: | 2008-04-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structures of F420-dependent glucose-6-phosphate dehydrogenase FGD1 involved in the activation of the anti-tuberculosis drug candidate PA-824 reveal the basis of coenzyme and substrate binding
J.Biol.Chem., 283, 2008
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3BI6
 | | Wee1 kinase complex with inhibitor PD352396 | | Descriptor: | 4-(2-chlorophenyl)-9-hydroxy-6-methyl-1,3-dioxo-N-(2-pyrrolidin-1-ylethyl)pyrrolo[3,4-g]carbazole-8-carboxamide, CHLORIDE ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2007-11-29 | | Release date: | 2007-12-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
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3BIZ
 | | Wee1 kinase complex with inhibitor PD331618 | | Descriptor: | 4-(2-chlorophenyl)-8-[3-(dimethylamino)propoxy]-9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, CHLORIDE ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2007-12-02 | | Release date: | 2007-12-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure-activity relationships of soluble 8-substituted 4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of the Wee1 and Chk1 checkpoint kinases.
Bioorg.Med.Chem.Lett., 18, 2008
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3HPX
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4GEC
 | | Crystal Structure of E.coli MenH R124A Mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, CHLORIDE ION, ... | | Authors: | Johnston, J.M, Baker, E.N, Guo, Z, Jiang, M. | | Deposit date: | 2012-08-01 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structures of E. coli Native MenH and Two Active Site Mutants.
Plos One, 8, 2013
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4GDM
 | | Crystal Structure of E.coli MenH | | Descriptor: | 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, CHLORIDE ION, GLYCEROL, ... | | Authors: | Johnston, J.M, Baker, E.N, Guo, Z, Jiang, M. | | Deposit date: | 2012-07-31 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal Structures of E. coli Native MenH and Two Active Site Mutants.
Plos One, 8, 2013
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4GKM
 | | Bianthranilate-like analogue bound in the outer site of anthranilate phosphoribosyltransferase (AnPRT; trpD) | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid, Anthranilate phosphoribosyltransferase, ... | | Authors: | Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2012-08-13 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6683 Å) | | Cite: | Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014
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4GEG
 | | Crystal Structure of E.coli MenH Y85F Mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, CHLORIDE ION, ... | | Authors: | Johnston, J.M, Baker, E.N, Guo, Z, Jiang, M. | | Deposit date: | 2012-08-01 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal Structures of E. coli Native MenH and Two Active Site Mutants.
Plos One, 8, 2013
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4GIU
 | | Bianthranilate-like analogue bound in inner site of anthranilate phosphoribosyltransferase (AnPRT; trpD). | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-[(2-carboxy-5-methylphenyl)amino]-3-methylbenzoic acid, Anthranilate phosphoribosyltransferase, ... | | Authors: | Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2012-08-09 | | Release date: | 2013-08-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.667 Å) | | Cite: | Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014
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4HSS
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4HSQ
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4IDS
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4IJ1
 | | Bianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (AnPRT; trpD) in absence of substrates. | | Descriptor: | 2,2'-iminodibenzoic acid, Anthranilate phosphoribosyltransferase, GLYCEROL, ... | | Authors: | Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2012-12-20 | | Release date: | 2013-12-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014
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4IDM
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4IHI
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1SR9
 | | Crystal Structure of LeuA from Mycobacterium tuberculosis | | Descriptor: | 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, CHLORIDE ION, ... | | Authors: | Koon, N, Squire, C.J, Baker, E.N. | | Deposit date: | 2004-03-22 | | Release date: | 2004-05-18 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of LeuA from Mycobacterium tuberculosis, a key enzyme in leucine biosynthesis
Proc.Natl.Acad.Sci.USA, 101, 2004
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1I3E
 | | HUMAN AZIDO-MET HEMOGLOBIN BART'S (GAMMA4) | | Descriptor: | AZIDE ION, HEMOGLOBIN GAMMA CHAINS, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kidd, R.D, Baker, H.M, Mathews, A.J, Brittain, T, Baker, E.N. | | Deposit date: | 2001-02-15 | | Release date: | 2001-09-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Oligomerization and ligand binding in a homotetrameric hemoglobin: two high-resolution crystal structures of hemoglobin Bart's (gamma(4)), a marker for alpha-thalassemia.
Protein Sci., 10, 2001
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1RJN
 | | The Crystal Structure of MenB (Rv0548c) from Mycobacterium tuberculosis in Complex with the CoA Portion of Naphthoyl CoA | | Descriptor: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, COENZYME A, menB | | Authors: | Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-11-19 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of naphthoate synthase (MenB) from Mycobacterium tuberculosis in both native and product-bound forms.
Acta Crystallogr.,Sect.D, 61, 2005
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1I3D
 | | HUMAN CARBONMONOXY HEMOGLOBIN BART'S (GAMMA4) | | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN GAMMA CHAINS, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kidd, R.D, Baker, H.M, Mathews, A.J, Brittain, T, Baker, E.N. | | Deposit date: | 2001-02-15 | | Release date: | 2001-09-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Oligomerization and ligand binding in a homotetrameric hemoglobin: two high-resolution crystal structures of hemoglobin Bart's (gamma(4)), a marker for alpha-thalassemia.
Protein Sci., 10, 2001
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1RJM
 | | Crystal Structure of MenB (Rv0548c) from Mycobacterium tuberculosis | | Descriptor: | 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, MenB | | Authors: | Johnston, J.M, Arcus, V.L, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-11-19 | | Release date: | 2004-11-30 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of naphthoate synthase (MenB) from Mycobacterium tuberculosis in both native and product-bound forms.
Acta Crystallogr.,Sect.D, 61, 2005
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1V8O
 | | Crystal Structure of PAE2754 from Pyrobaculum aerophilum | | Descriptor: | CHLORIDE ION, hypothetical protein PAE2754 | | Authors: | Arcus, V.L, Backbro, K, Roos, A, Daniel, E.L, Baker, E.N. | | Deposit date: | 2004-01-12 | | Release date: | 2004-02-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Distant structural homology leads to the functional characterization of an archaeal PIN domain as an exonuclease
J.Biol.Chem., 279, 2004
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