2O7R
 
 | | Plant carboxylesterase AeCXE1 from Actinidia eriantha with acyl adduct | | Descriptor: | CXE carboxylesterase, PROPYL ACETATE | | Authors: | Ileperuma, N.R, Marshall, S.D, Squire, C.J, Baker, H.M, Oakeshott, J.G, Russell, R.J, Plummer, K.M, Newcomb, R.D, Baker, E.N. | | Deposit date: | 2006-12-11 | | Release date: | 2007-02-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-Resolution Crystal Structure of Plant Carboxylesterase AeCXE1, from Actinidia eriantha, and Its Complex with a High-Affinity Inhibitor Paraoxon.
Biochemistry, 46, 2007
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2IO6
 | | Wee1 kinase complexed with inhibitor PD330961 | | Descriptor: | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4-(2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2006-10-10 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
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2IN6
 | | Wee1 kinase complex with inhibitor PD311839 | | Descriptor: | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL-2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL-6(1H)-YL)PROPANOIC ACID, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2006-10-05 | | Release date: | 2007-09-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.
Eur.J.Med.Chem., 43, 2008
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1OFG
 | | GLUCOSE-FRUCTOSE OXIDOREDUCTASE | | Descriptor: | GLUCOSE-FRUCTOSE OXIDOREDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Kingston, R.L, Scopes, R.K, Baker, E.N. | | Deposit date: | 1996-10-17 | | Release date: | 1997-04-21 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The structure of glucose-fructose oxidoreductase from Zymomonas mobilis: an osmoprotective periplasmic enzyme containing non-dissociable NADP.
Structure, 4, 1996
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1Q7T
 | | Rv1170 (MshB) from Mycobacterium tuberculosis | | Descriptor: | SULFATE ION, hypothetical protein Rv1170, octyl beta-D-glucopyranoside | | Authors: | McCarthy, A.A, Peterson, N.A, Knijff, R, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2003-08-20 | | Release date: | 2004-01-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of MshB from Mycobacterium tuberculosis, a Deacetylase Involved in Mycothiol Biosynthesis.
J.Mol.Biol., 335, 2004
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1H45
 | | R210G N-TERMINAL LOBE HUMAN LACTOFERRIN | | Descriptor: | CARBONATE ION, FE (III) ION, LACTOFERRIN | | Authors: | Peterson, N.A, Anderson, B.F, Jameson, G.B, Tweedie, J.W, Baker, E.N. | | Deposit date: | 2002-10-03 | | Release date: | 2002-11-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | "Dilysine Trigger" in Transferrins Probed by Mutagenesis of Lactoferrin: Crystal Structures of the R210G, R210E, and R210L Mutants of Human Lactoferrin
Biochemistry, 41, 2002
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1H43
 | | R210E N-TERMINAL LOBE HUMAN LACTOFERRIN | | Descriptor: | CARBONATE ION, FE (III) ION, LACTOFERRIN | | Authors: | Peterson, N.A, Arcus, V.L, Anderson, B.F, Jameson, G.B, Tweedie, J.W, Baker, E.N. | | Deposit date: | 2002-10-02 | | Release date: | 2002-11-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | "Dilysine Trigger" in Transferrins Probed by Mutagenesis of Lactoferrin: Crystal Structures of the R210G, R210E, and R210L Mutants of Human Lactoferrin
Biochemistry, 41, 2002
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1H44
 | | R210L N-TERMINAL LOBE HUMAN LACTOFERRIN | | Descriptor: | CARBONATE ION, FE (III) ION, LACTOFERRIN | | Authors: | Peterson, N.A, Arcus, V.L, Anderson, B.F, Jameson, G.B, Tweedie, J.W, Baker, E.N. | | Deposit date: | 2002-10-03 | | Release date: | 2002-11-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | "Dilysine Trigger" in Transferrins Probed by Mutagenesis of Lactoferrin: Crystal Structures of the R210G, R210E, and R210L Mutants of Human Lactoferrin
Biochemistry, 41, 2002
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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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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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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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1V8P
 | | 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 (2.52 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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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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3PFP
 | | Structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis in complex with an active site inhibitor | | Descriptor: | (2R)-2,7-bis(phosphonooxy)heptanoic acid, (2S)-2,7-bis(phosphonooxy)heptanoic acid, CHLORIDE ION, ... | | Authors: | Reichau, S, Jiao, W, Walker, S.R, Hutton, R.D, Parker, E.J, Baker, E.N. | | Deposit date: | 2010-10-28 | | Release date: | 2011-03-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Potent inhibitors of a shikimate pathway enzyme from Mycobacterium tuberculosis: combining mechanism- and modeling-based design
J.Biol.Chem., 286, 2011
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1WVQ
 | | Structure of conserved hypothetical protein PAE2307 from Pyrobaculum aerophilum | | Descriptor: | PHOSPHATE ION, hypothetical protein PAE2307 | | Authors: | Lott, J.S, Delbaere, L.T, Banfield, M.J, Sigrell-Simon, J.A, Baker, E.N. | | Deposit date: | 2004-12-24 | | Release date: | 2006-01-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | The structure of an ancient conserved domain establishes a structural basis for stable histidine phosphorylation and identifies a new family of adenosine-specific kinases.
J.Biol.Chem., 281, 2006
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3PSQ
 | | Crystal structure of Spy0129, a Streptococcus pyogenes class B sortase involved in pilus biogenesis | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Kang, H.J, Baker, E.N. | | Deposit date: | 2010-12-02 | | Release date: | 2011-01-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Crystal structure of Spy0129, a Streptococcus pyogenes class B sortase involved in pilus assembly
Plos One, 6, 2011
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1X8B
 | | Structure of human Wee1A kinase: kinase domain complexed with inhibitor PD0407824 | | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, MAGNESIUM ION, Wee1-like protein kinase | | Authors: | Squire, C.J, Dickson, J.M, Ivanovic, I, Baker, E.N. | | Deposit date: | 2004-08-17 | | Release date: | 2005-06-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structure and inhibition of the human cell cycle checkpoint kinase, Wee1A kinase: an atypical tyrosine kinase with a key role in CDK1 regulation
Structure, 13, 2005
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1XKF
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1XVW
 | | Crystal Structure of AhpE from Mycobacterium tuberculosis, a 1-Cys peroxiredoxin | | Descriptor: | Hypothetical protein Rv2238c/MT2298 | | Authors: | Li, S, Peterson, N.A, Kim, M.Y, Kim, C.Y, Hung, L.W, Yu, M, Lekin, T, Segelke, B.W, Lott, J.S, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-10-28 | | Release date: | 2005-02-22 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of AhpE from Mycobacterium tuberculosis, a 1-Cys Peroxiredoxin
J.Mol.Biol., 346, 2005
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1XXU
 | | Crystal Structure of AhpE from Mycrobacterium tuberculosis, a 1-Cys peroxiredoxin | | Descriptor: | Hypothetical protein Rv2238c/MT2298 | | Authors: | Li, S, Peterson, N.A, Kim, M.Y, Kim, C.Y, Hung, L.W, Yu, M, Lekin, T, Segelke, B.W, Lott, J.S, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-11-08 | | Release date: | 2005-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of AhpE from Mycobacterium tuberculosis, a 1-Cys Peroxiredoxin
J.Mol.Biol., 346, 2005
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1Y5H
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1YK3
 | | Crystal structure of Rv1347c from Mycobacterium tuberculosis | | Descriptor: | Hypothetical protein Rv1347c/MT1389, octyl beta-D-glucopyranoside | | Authors: | Card, G.L, Peterson, N.A, Smith, C.A, Rupp, B, Schick, B.M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-01-16 | | Release date: | 2005-02-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of Rv1347c, a putative antibiotic resistance protein from Mycobacterium tuberculosis, reveals a GCN5-related fold and suggests an alternative function in siderophore biosynthesis
J.Biol.Chem., 280, 2005
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3RPK
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1ZVW
 | | The Crystal Structure of TrpD (Rv2192c) from Mycobacterium tuberculosis in Complex with PRPP and Magnesium | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, BENZAMIDINE, ... | | Authors: | Lee, C.E, Lott, J.S, Baker, E.N, Arcus, V.L, Javid-Majd, F, Goodfellow, C, Hung, L.-W, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-06-02 | | Release date: | 2006-01-17 | | Last modified: | 2021-08-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Crystal Structure of TrpD, a Metabolic Enzyme Essential for Lung Colonization by Mycobacterium tuberculosis, in Complex with its Substrate Phosphoribosylpyrophosphate.
J.Mol.Biol., 355, 2006
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2A6P
 | | Structure Solution to 2.2 Angstrom and Functional Characterisation of the Open Reading Frame Rv3214 from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, POSSIBLE PHOSPHOGLYCERATE MUTASE GPM2, SULFATE ION | | Authors: | Watkins, H.A, Yu, M, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-07-03 | | Release date: | 2006-05-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Functional Analysis of Rv3214 from Mycobacterium tuberculosis, a Protein with Conflicting Functional Annotations, Leads to Its Characterization as a Phosphatase.
J.Bacteriol., 188, 2006
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