4C0Z
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![BU of 4c0z by Molmil](/molmil-images/mine/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
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![BU of 4a1o by Molmil](/molmil-images/mine/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
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![BU of 2z2w by Molmil](/molmil-images/mine/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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![BU of 3b2m by Molmil](/molmil-images/mine/3b2m) | |
3B4Y
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![BU of 3b4y by Molmil](/molmil-images/mine/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
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![BU of 3bi6 by Molmil](/molmil-images/mine/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
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![BU of 3biz by Molmil](/molmil-images/mine/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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![BU of 3hpx by Molmil](/molmil-images/mine/3hpx) | |
4GEC
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![BU of 4gec by Molmil](/molmil-images/mine/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
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![BU of 4gdm by Molmil](/molmil-images/mine/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
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![BU of 4gkm by Molmil](/molmil-images/mine/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
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![BU of 4geg by Molmil](/molmil-images/mine/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
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![BU of 4giu by Molmil](/molmil-images/mine/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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![BU of 4hss by Molmil](/molmil-images/mine/4hss) | |
4HSQ
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![BU of 4hsq by Molmil](/molmil-images/mine/4hsq) | |
4IDS
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![BU of 4ids by Molmil](/molmil-images/mine/4ids) | |
4IJ1
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![BU of 4ij1 by Molmil](/molmil-images/mine/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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![BU of 4idm by Molmil](/molmil-images/mine/4idm) | |
4IHI
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![BU of 4ihi by Molmil](/molmil-images/mine/4ihi) | |
1SR9
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![BU of 1sr9 by Molmil](/molmil-images/mine/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
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![BU of 1i3e by Molmil](/molmil-images/mine/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
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![BU of 1rjn by Molmil](/molmil-images/mine/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
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![BU of 1i3d by Molmil](/molmil-images/mine/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
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![BU of 1rjm by Molmil](/molmil-images/mine/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
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![BU of 1v8o by Molmil](/molmil-images/mine/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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