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4V7G
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BU of 4v7g by Molmil
Crystal Structure of Lumazine Synthase from Bacillus Anthracis
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
Authors:Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R.
Deposit date:2009-09-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 66, 2010
1KZL
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BU of 1kzl by Molmil
Riboflavin Synthase from S.pombe bound to Carboxyethyllumazine
Descriptor: 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID, MERCURY (II) ION, Riboflavin Synthase
Authors:Gerhardt, S, Schott, A.K, Kairies, N, Cushman, M, Illarionov, B, Eisenreich, W, Bacher, A, Huber, R, Steinbacher, S, Fischer, M.
Deposit date:2002-02-07
Release date:2002-11-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Studies on the Reaction Mechanism of Riboflavin Synthase; X-Ray Crystal Structure of a Complex with 6-Carboxyethyl-7-Oxo-8-Ribityllumazine
STRUCTURE, 10, 2002
1W29
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Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)butane 1-phosphate
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, 4-{2,6,8-TRIOXO-9-[(2R,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, 4-{2,6,8-TRIOXO-9-[(2S,3R,4R)-2,3,4,5-TETRAHYDROXYPENTYL]-1,2,3,6,8,9-HEXAHYDRO-7H-PURIN-7-YL}BUTYL DIHYDROGEN PHOSPHATE, ...
Authors:Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2004-07-01
Release date:2005-03-03
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,)
Biochemistry, 44, 2005
1W19
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BU of 1w19 by Molmil
Lumazine Synthase from Mycobacterium tuberculosis bound to 3-(1,3,7- trihydro-9-D-ribityl-2,6,8-purinetrione-7-yl)propane 1-phosphate
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S,5S)-1,2-DITHIANE-4,5-DIOL, ...
Authors:Morgunova, E, Meining, W, Illarionov, B, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2004-06-03
Release date:2005-03-02
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Lumazine Synthase from Mycobacterium Tuberculosis as a Target for Rational Drug Design: Binding Mode of a New Class of Purinetrione Inhibitors(,)
Biochemistry, 44, 2005
2VI5
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BU of 2vi5 by Molmil
LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO N-6-(ribitylamino)pyrimidine-2,4(1H,3H)-dione-5-yl-propionamide
Descriptor: 1-deoxy-1-{[(5S)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-D-ribitol, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, PHOSPHATE ION, ...
Authors:Morgunova, E, Zhang, Y, Jin, G, Illarionov, B, Bacher, A, Fischer, M, Cushman, M, Ladenstein, R.
Deposit date:2007-11-27
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A New Series of N-[2,4-Dioxo-6-D-Ribitylamino-1,2, 3,4-Tetrahydropyrimidin-5-Yl]Oxalamic Acid Derivatives as Inhibitors of Lumazine Syntase and Riboflavin Synthase: Design, Synthesis, Biochemical Evaluation, Crystallography and Mechanistic Implications.
J.Org.Chem., 73, 2008
5MRN
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Arabidopsis thaliana IspD Glu258Ala Mutant
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5MRQ
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BU of 5mrq by Molmil
Arabidopsis thaliana IspD Asp262Ala Mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5MRM
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Arabidopsis thaliana IspD in complex with Isoxazole (4)
Descriptor: 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5MRO
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BU of 5mro by Molmil
Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5MRP
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BU of 5mrp by Molmil
Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2)
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
4NAL
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BU of 4nal by Molmil
Arabidopsis thaliana IspD in complex with tribromodichloro-pseudilin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,4-DICHLORO-6-(3,4,5-TRIBROMO-1H-PYRROL-2-YL)PHENOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ...
Authors:Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F.
Deposit date:2013-10-22
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NAI
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BU of 4nai by Molmil
Arabidopsis thaliana IspD apo
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ...
Authors:Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F.
Deposit date:2013-10-22
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NAK
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BU of 4nak by Molmil
Arabidopsis thaliana IspD in complex with pentabromo-pseudilin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F.
Deposit date:2013-10-22
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
4NAN
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BU of 4nan by Molmil
Arabidopsis thaliana IspD in complex with tetrabromo-pseudilin
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F.
Deposit date:2013-10-22
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD.
Angew.Chem.Int.Ed.Engl., 53, 2014
3DDY
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BU of 3ddy by Molmil
Structure of lumazine protein, an optical transponder of luminescent bacteria
Descriptor: Lumazine protein, RIBOFLAVIN
Authors:Chatwell, L, Illarionova, V, Illarionov, B, Skerra, A, Bacher, A, Fischer, M.
Deposit date:2008-06-07
Release date:2008-07-01
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of lumazine protein, an optical transponder of luminescent bacteria.
J.Mol.Biol., 382, 2008
2B99
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BU of 2b99 by Molmil
Crystal Structure of an archaeal pentameric riboflavin synthase Complex with a Substrate analog inhibitor
Descriptor: 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE, Riboflavin synthase
Authors:Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M.
Deposit date:2005-10-11
Release date:2005-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications
J.Biol.Chem., 281, 2006
2B98
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Crystal Structure of an archaeal pentameric riboflavin synthase
Descriptor: Riboflavin synthase
Authors:Ramsperger, A, Augustin, M, Schott, A.K, Gerhardt, S, Krojer, T, Eisenreich, W, Illarionov, B, Cushman, M, Bacher, A, Huber, R, Fischer, M.
Deposit date:2005-10-11
Release date:2005-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of an Archaeal Pentameric Riboflavin Synthase in Complex with a Substrate Analog Inhibitor: stereochemical implications
J.Biol.Chem., 281, 2006
2C9B
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BU of 2c9b by Molmil
Lumazine Synthase from Mycobacterium tuberculosus Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL), 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, ...
Authors:Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2005-12-09
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis.
FEBS J., 273, 2006
2C9D
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BU of 2c9d by Molmil
Lumazine Synthase from Mycobacterium tuberculosis Bound to 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)HEXANE 1-PHOSPHATE
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, ...
Authors:Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2005-12-09
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis.
FEBS J., 273, 2006
2C97
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LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 4-(6- chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)butyl phosphate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(6-CHLORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL) BUTYL PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, ...
Authors:Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2005-12-09
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis.
FEBS J., 273, 2006
2C94
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LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 difluoropentane-1- PHOSPHATE
Descriptor: 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1,1 DIFLUOROPENTANE-1-PHOSPHATE, 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE, POTASSIUM ION
Authors:Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2005-12-09
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis.
FEBS J., 273, 2006
2C92
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BU of 2c92 by Molmil
LUMAZINE SYNTHASE FROM MYCOBACTERIUM TUBERCULOSIS BOUND TO 3-(1,3,7- TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) PENTANE 1 PHOSPHATE
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL) 1-PHOSPHATE, ...
Authors:Morgunova, E, Illarionov, B, Jin, G, Haase, I, Fischer, M, Cushman, M, Bacher, A, Ladenstein, R.
Deposit date:2005-12-09
Release date:2006-12-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis.
FEBS J., 273, 2006
3R0I
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BU of 3r0i by Molmil
IspC in complex with an N-methyl-substituted hydroxamic acid
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION, {(1S)-1-(3,4-difluorophenyl)-4-[hydroxy(methyl)amino]-4-oxobutyl}phosphonic acid
Authors:Behrendt, C.T, Kunfermann, A, Illarionova, V, Matheeussen, A, Pein, M.K, Graewert, T, Bacher, A, Eisenreich, W, Illarionov, B, Fischer, M, Maes, L, Groll, M, Kurz, T.
Deposit date:2011-03-08
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reverse Fosmidomycin Derivatives against the Antimalarial Drug Target IspC (Dxr).
J.Med.Chem., 54, 2011
4UQF
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BU of 4uqf by Molmil
CRYSTAL STRUCTURE OF LISTERIA MONOCYTOGENES GTP CYCLOHYDROLASE I
Descriptor: GTP cyclohydrolase 1
Authors:Schuessler, S, Perbandt, M, Fischer, M, Graewert, T.
Deposit date:2014-06-23
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of GTP cyclohydrolase I from Listeria monocytogenes, a potential anti-infective drug target.
Acta Crystallogr.,Sect.F, 75, 2019
4KP7
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Structure of Plasmodium IspC in complex with a beta-thia-isostere derivative of Fosmidomycin
Descriptor: 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (III) ION, ...
Authors:Kunfermann, A, Bacher, A, Groll, M.
Deposit date:2013-05-13
Release date:2013-10-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:IspC as Target for Antiinfective Drug Discovery: Synthesis, Enantiomeric Separation, and Structural Biology of Fosmidomycin Thia Isosters.
J.Med.Chem., 56, 2013

 

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