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5BNE
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BU of 5bne by Molmil
Bianthranilate-like inhibitor with 6 atom "line" and phosphonate "hook" fishing for hydrogen bond donors in Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Descriptor: 2-[(2-carboxyphenyl)amino]-5-[(5-phosphonopentyl)oxy]benzoic acid, Anthranilate phosphoribosyltransferase, IMIDAZOLE
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-05-26
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP.
To be Published
3KLQ
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BU of 3klq by Molmil
Crystal Structure of the Minor Pilin FctB from Streptococcus pyogenes 90/306S
Descriptor: GLYCEROL, Putative pilus anchoring protein
Authors:Linke, C, Young, P.G, Bunker, R.D, Caradoc-Davies, T.T, Baker, E.N.
Deposit date:2009-11-08
Release date:2010-04-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the minor pilin FctB reveals determinants of Group A streptococcal pilus anchoring
J.Biol.Chem., 285, 2010
5C1R
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BU of 5c1r by Molmil
Stereoisomer of PRPP bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyl (AnPRT; trpD)
Descriptor: 5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, GLYCEROL, ...
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-06-15
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP.
To Be Published
5C2L
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BU of 5c2l by Molmil
Magnesium soaked into the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Descriptor: Anthranilate phosphoribosyltransferase, IMIDAZOLE, MAGNESIUM ION
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-06-16
Release date:2016-06-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP
To Be Published
5C7S
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BU of 5c7s by Molmil
PRPP complexed with two Mn2+ in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MANGANESE (II) ION
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-06-24
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP
To Be Published
3LOG
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BU of 3log by Molmil
Crystal structure of MbtI from Mycobacterium tuberculosis
Descriptor: CARBONATE ION, GLYCEROL, Isochorismate synthase/isochorismate-pyruvate lyase mbtI, ...
Authors:Bulloch, E.M.M, Lott, J.S, Baker, E.N, Johnston, J.M.
Deposit date:2010-02-03
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Inhibition studies of Mycobacterium tuberculosis salicylate synthase (MbtI).
Chemmedchem, 5, 2010
5BYT
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BU of 5byt by Molmil
PRPP complexed with a single Mg in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION
Authors:Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-06-11
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding and mimicking of the phosphate-rich substrate, PRPP.
To be Published
5CEV
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BU of 5cev by Molmil
ARGINASE FROM BACILLUS CALDEVELOX, L-LYSINE COMPLEX
Descriptor: GUANIDINE, LYSINE, MANGANESE (II) ION, ...
Authors:Bewley, M.C, Jeffrey, P.D, Patchett, M.L, Kanyo, Z.F, Baker, E.N.
Deposit date:1999-03-16
Release date:1999-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 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
5CYY
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BU of 5cyy by Molmil
Structure of the C-terminal domains of DipZ from Mycobacterium tuberculosis
Descriptor: Protein DipZ
Authors:Goldstone, D.C, Metcalf, P, Baker, E.N, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2015-07-31
Release date:2016-01-13
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the ectodomain of the electron transporter Rv2874 from Mycobacterium tuberculosis reveals a thioredoxin-like domain combined with a carbohydrate-binding module.
Acta Crystallogr D Struct Biol, 72, 2016
5CW8
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BU of 5cw8 by Molmil
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
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BU of 5cxg by Molmil
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
5CXI
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BU of 5cxi by Molmil
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
4MKM
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BU of 4mkm by Molmil
Repeat domains 1 & 2 of Clostridium perfringens Cpe0147
Descriptor: CALCIUM ION, Putative surface anchored protein
Authors:Kwon, H, Squire, C.J, Young, P.G, Baker, E.N.
Deposit date:2013-09-05
Release date:2013-12-04
Last modified:2014-02-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Autocatalytically generated Thr-Gln ester bond cross-links stabilize the repetitive Ig-domain shaft of a bacterial cell surface adhesin.
Proc.Natl.Acad.Sci.USA, 111, 2014
4N5V
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BU of 4n5v by Molmil
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
4N8Q
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BU of 4n8q by Molmil
Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase
Descriptor: 2-amino-4-fluorobenzoic acid, Anthranilate phosphoribosyltransferase
Authors:Castell, A, Cookson, T.V.M, Bulloch, E, Evans, G.L, Baker, E.N, Lott, J.S, Parker, E.J.
Deposit date:2013-10-17
Release date:2014-04-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 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
4N31
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BU of 4n31 by Molmil
Structure and activity of Streptococcus pyogenes SipA: a signal peptidase homologue essential for pilus polymerisation
Descriptor: PHOSPHATE ION, PHOSPHATIDYLETHANOLAMINE, SipA
Authors:Young, P.G, Proft, T, Baker, E.N.
Deposit date:2013-10-06
Release date:2014-08-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and activity of Streptococcus pyogenes SipA: a signal peptidase-like protein essential for pilus polymerisation.
Plos One, 9, 2014
4NWZ
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BU of 4nwz by Molmil
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
4NI6
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BU of 4ni6 by Molmil
Repeat domain 1 of Clostridium perfringens CPE0147
Descriptor: Putative surface anchored protein
Authors:Kwon, H, Squire, C.J, Young, P.G, Baker, E.N.
Deposit date:2013-11-05
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Autocatalytically generated Thr-Gln ester bond cross-links stabilize the repetitive Ig-domain shaft of a bacterial cell surface adhesin.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NS3
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BU of 4ns3 by Molmil
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis bound with NAD and cobalamin
Descriptor: COBALAMIN, Delta-1-pyrroline-5-carboxylate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Lagautriere, T, Bashiri, G, Baker, E.N.
Deposit date:2013-11-27
Release date:2015-01-14
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Use of a "silver bullet" to resolve crystal lattice dislocation disorder: A cobalamin complex of Delta (1)-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis.
J.Struct.Biol., 189, 2015
4P0D
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BU of 4p0d by Molmil
The T6 backbone pilin of serotype M6 Streptococcus pyogenes has a modular three-domain structure decorated with variable loops and extensions
Descriptor: CALCIUM ION, IODIDE ION, Trypsin-resistant surface T6 protein
Authors:Young, P.G, Moreland, N.J, Loh, J.M, Bell, A, Atatoa-Carr, P, Proft, T, Baker, E.N.
Deposit date:2014-02-20
Release date:2014-08-27
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Conservation, Variability, and Immunogenicity of the T6 Backbone Pilin of Serotype M6 Streptococcus pyogenes.
Infect.Immun., 82, 2014
4PMK
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BU of 4pmk by Molmil
Crystal structure of kiwellin
Descriptor: CHLORIDE ION, Kiwellin
Authors:Hamiaux, C, Baker, E.N, Atkinson, R.G.
Deposit date:2014-05-22
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of kiwellin, a major cell-wall protein from kiwifruit.
J.Struct.Biol., 187, 2014
4QVH
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BU of 4qvh by Molmil
Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein
Descriptor: CITRATE ANION, COENZYME A, GLYCEROL, ...
Authors:Jung, J, Bashiri, G, Johnston, J.M, Baker, E.N.
Deposit date:2014-07-15
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein.
J.Struct.Biol., 188, 2014
1JBW
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BU of 1jbw by Molmil
FPGS-AMPPCP-folate complex
Descriptor: 5,10-METHYLENE-6-HYDROFOLIC ACID, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, FOLYLPOLYGLUTAMATE SYNTHASE, ...
Authors:Sun, X, Cross, J.A, Bognar, A.L, Baker, E.N, Smith, C.A.
Deposit date:2001-06-06
Release date:2001-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Folate-binding triggers the activation of folylpolyglutamate synthetase.
J.Mol.Biol., 310, 2001
1JBV
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BU of 1jbv by Molmil
FPGS-AMPPCP complex
Descriptor: FOLYLPOLYGLUTAMATE SYNTHASE, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Sun, X, Cross, J.A, Bognar, A.L, Baker, E.N, Smith, C.A.
Deposit date:2001-06-06
Release date:2001-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Folate-binding triggers the activation of folylpolyglutamate synthetase.
J.Mol.Biol., 310, 2001
1JEB
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BU of 1jeb by Molmil
Chimeric Human/Mouse Carbonmonoxy Hemoglobin (Human Zeta2 / Mouse Beta2)
Descriptor: CARBON MONOXIDE, HEMOGLOBIN BETA-SINGLE CHAIN, HEMOGLOBIN ZETA CHAIN, ...
Authors:Kidd, R.D, Russell, J.E, Watmough, N.J, Baker, E.N, Brittain, T.
Deposit date:2001-06-17
Release date:2002-01-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The role of beta chains in the control of the hemoglobin oxygen binding function: chimeric human/mouse proteins, structure, and function.
Biochemistry, 40, 2001

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