1HSE
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![BU of 1hse by Molmil](/molmil-images/mine/1hse) | H253M N TERMINAL LOBE OF HUMAN LACTOFERRIN | Descriptor: | CARBONATE ION, FE (III) ION, LACTOFERRIN | Authors: | Nicholson, H, Anderson, B.F, Baker, E.N. | Deposit date: | 1996-12-11 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutagenesis of the histidine ligand in human lactoferrin: iron binding properties and crystal structure of the histidine-253-->methionine mutant. Biochemistry, 36, 1997
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1BP5
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![BU of 1bp5 by Molmil](/molmil-images/mine/1bp5) | HUMAN SERUM TRANSFERRIN, RECOMBINANT N-TERMINAL LOBE, APO FORM | Descriptor: | PROTEIN (SERUM TRANSFERRIN) | Authors: | Jeffrey, P.D, Bewley, M.C, Macgillivray, R.T.A, Mason, A.B, Woodworth, R.C, Baker, E.N. | Deposit date: | 1998-08-12 | Release date: | 1999-01-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Ligand-induced conformational change in transferrins: crystal structure of the open form of the N-terminal half-molecule of human transferrin. Biochemistry, 37, 1998
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1BLF
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![BU of 1blf by Molmil](/molmil-images/mine/1blf) | STRUCTURE OF DIFERRIC BOVINE LACTOFERRIN AT 2.8 ANGSTROMS RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Moore, S.A, Anderson, B.F, Groom, C.R, Haridas, M, Baker, E.N. | Deposit date: | 1997-08-20 | Release date: | 1997-12-03 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Three-dimensional structure of diferric bovine lactoferrin at 2.8 A resolution. J.Mol.Biol., 274, 1997
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3B2M
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2VOR
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![BU of 2vor by Molmil](/molmil-images/mine/2vor) | Crystal Structures of Mycobacterium tuberculosis Folylpolyglutamate Synthase Complexed with ADP and AMPPCP | Descriptor: | COBALT (II) ION, FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC, GLYCEROL, ... | Authors: | Young, P.G, Baker, E.N, Metcalf, P, Smith, C.A. | Deposit date: | 2008-02-19 | Release date: | 2008-07-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of Mycobacterium Tuberculosisfolylpolyglutamate Synthase Complexed with Adp and Amppcp. Acta Crystallogr.,Sect.D, 64, 2008
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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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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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3CEV
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![BU of 3cev by Molmil](/molmil-images/mine/3cev) | ARGINASE FROM BACILLUS CALDEVELOX, COMPLEXED WITH L-ARGININE | Descriptor: | ARGININE, MANGANESE (II) ION, PROTEIN (ARGINASE) | Authors: | Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N. | Deposit date: | 1999-03-15 | Release date: | 1999-04-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily. Structure Fold.Des., 7, 1999
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1FQF
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1ET9
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![BU of 1et9 by Molmil](/molmil-images/mine/1et9) | CRYSTAL STRUCTURE OF THE SUPERANTIGEN SPE-H FROM STREPTOCOCCUS PYOGENES | Descriptor: | SUPERANTIGEN SPE-H | Authors: | Arcus, V.L, Proft, T, Sigrell, J.A, Baker, H.M, Fraser, J.D, Baker, E.N. | Deposit date: | 2000-04-12 | Release date: | 2000-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conservation and variation in superantigen structure and activity highlighted by the three-dimensional structures of two new superantigens from Streptococcus pyogenes. J.Mol.Biol., 299, 2000
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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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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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3C8N
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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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2CEV
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![BU of 2cev by Molmil](/molmil-images/mine/2cev) | ARGINASE FROM BACILLUS CALDEVELOX, NATIVE STRUCTURE AT PH 8.5 | Descriptor: | GUANIDINE, MANGANESE (II) ION, PROTEIN (ARGINASE) | Authors: | Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N. | Deposit date: | 1999-03-10 | Release date: | 1999-04-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily. Structure Fold.Des., 7, 1999
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3CQE
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![BU of 3cqe by Molmil](/molmil-images/mine/3cqe) | Wee1 kinase complex with inhibitor PD074291 | Descriptor: | 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Squire, C.J, Baker, E.N. | Deposit date: | 2008-04-02 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Determinants of Wee1 Inhibitor Selectivity To be Published
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3CR0
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![BU of 3cr0 by Molmil](/molmil-images/mine/3cr0) | Wee1 kinase complex with inhibitor PD259_809 | Descriptor: | 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methylpyrrolo[3,4-e]indole-1,3(2H,6H)-dione, CHLORIDE ION, GLYCEROL, ... | Authors: | Squire, C.J, Baker, E.N. | Deposit date: | 2008-04-03 | Release date: | 2009-02-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural determinants of Wee1 inhibitor selectivity To be Published
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2BPQ
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![BU of 2bpq by Molmil](/molmil-images/mine/2bpq) | Anthranilate phosphoribosyltransferase (TrpD) from Mycobacterium tuberculosis (Apo structure) | Descriptor: | ANTHRANILATE PHOSPHORIBOSYLTRANSFERASE, BENZAMIDINE, GLYCEROL | Authors: | Lee, C.E, Goodfellow, C, Javid-Majd, F, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-04-22 | Release date: | 2006-01-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 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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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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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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3DCJ
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![BU of 3dcj by Molmil](/molmil-images/mine/3dcj) | Crystal structure of glycinamide formyltransferase (PurN) from Mycobacterium tuberculosis in complex with 5-methyl-5,6,7,8-tetrahydrofolic acid derivative | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[4-({[(6S)-2-AMINO-4-HYDROXY-5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID, ... | Authors: | Zhang, Z, Squire, C.J, Baker, E.N. | Deposit date: | 2008-06-03 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery. J.Mol.Biol., 389, 2009
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3D8V
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1V8P
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![BU of 1v8p by Molmil](/molmil-images/mine/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
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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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3DA8
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![BU of 3da8 by Molmil](/molmil-images/mine/3da8) | Crystal structure of PurN from Mycobacterium tuberculosis | Descriptor: | BETA-MERCAPTOETHANOL, IODIDE ION, MAGNESIUM ION, ... | Authors: | Zhang, Z, Squire, C.J, Baker, E.N. | Deposit date: | 2008-05-28 | Release date: | 2009-05-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of glycinamide ribonucleotide transformylase (PurN) from Mycobacterium tuberculosis reveal a novel dimer with relevance to drug discovery. J.Mol.Biol., 389, 2009
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