6Y1Q
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![BU of 6y1q by Molmil](/molmil-images/mine/6y1q) | Cortistatin analog with improved immunoregulatory activity | Descriptor: | Analog 5, OCTANOIC ACID (CAPRYLIC ACID) | Authors: | Rol, A. | Deposit date: | 2020-02-13 | Release date: | 2021-01-27 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Structure-based design of a Cortistatin analogue with immunomodulatory activity in models of inflammatory bowel disease. Nat Commun, 12, 2021
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1WS5
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![BU of 1ws5 by Molmil](/molmil-images/mine/1ws5) | Crystal structure of Jacalin-Me-alpha-Mannose complex: Promiscuity vs Specificity | Descriptor: | Agglutinin alpha chain, Agglutinin beta-3 chain, methyl alpha-D-mannopyranoside | Authors: | Jeyaprakash, A.A, Jayashree, G, Mahanta, S.K, Sekar, K, Surolia, A, Vijayan, M. | Deposit date: | 2004-10-31 | Release date: | 2005-03-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificity J.Mol.Biol., 347, 2005
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1XDS
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![BU of 1xds by Molmil](/molmil-images/mine/1xds) | Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with S-adenosyl-L-methionine (SAM) and 11-deoxy-beta-rhodomycin (DbrA) | Descriptor: | 11-DEOXY-BETA-RHODOMYCIN, Protein RdmB, S-ADENOSYLMETHIONINE | Authors: | Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J, Structural Proteomics in Europe (SPINE) | Deposit date: | 2004-09-08 | Release date: | 2004-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor J.Biol.Chem., 280, 2005
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1XDU
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![BU of 1xdu by Molmil](/molmil-images/mine/1xdu) | Crystal structure of Aclacinomycin-10-hydroxylase (RdmB) in complex with Sinefungin (SFG) | Descriptor: | ACETATE ION, Protein RdmB, SINEFUNGIN | Authors: | Jansson, A, Koskiniemi, H, Erola, A, Wang, J, Mantsala, P, Schneider, G, Niemi, J. | Deposit date: | 2004-09-08 | Release date: | 2004-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Aclacinomycin 10-Hydroxylase Is a Novel Substrate-assisted Hydroxylase Requiring S-Adenosyl-L-methionine as Cofactor J.Biol.Chem., 280, 2005
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2FQ0
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![BU of 2fq0 by Molmil](/molmil-images/mine/2fq0) | Solution structure of major conformation of holo-acyl carrier protein from malaria parasite plasmodium falciparum | Descriptor: | 4'-PHOSPHOPANTETHEINE, acyl carrier protein | Authors: | Sharma, A.K, Sharma, S.K, Surolia, A, Surolia, N, Sarma, S.P. | Deposit date: | 2006-01-17 | Release date: | 2006-08-08 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Solution structures of conformationally equilibrium forms of holo-acyl carrier protein (PfACP) from Plasmodium falciparum provides insight into the mechanism of activation of ACPs Biochemistry, 45, 2006
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2FQ2
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![BU of 2fq2 by Molmil](/molmil-images/mine/2fq2) | Solution structure of minor conformation of holo-acyl carrier protein from malaria parasite plasmodium falciparum | Descriptor: | 4'-PHOSPHOPANTETHEINE, acyl carrier protein | Authors: | Sharma, A.K, Sharma, S.K, Surolia, A, Surolia, N, Sarma, S.P. | Deposit date: | 2006-01-17 | Release date: | 2006-08-08 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Solution structures of conformationally equilibrium forms of holo-acyl carrier protein (PfACP) from Plasmodium falciparum provides insight into the mechanism of activation of ACPs Biochemistry, 45, 2006
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1WBL
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![BU of 1wbl by Molmil](/molmil-images/mine/1wbl) | WINGED BEAN LECTIN COMPLEXED WITH METHYL-ALPHA-D-GALACTOSE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Prabu, M.M, Sankaranarayanan, R, Puri, K.D, Sharma, V, Surolia, A, Vijayan, M, Suguna, K. | Deposit date: | 1997-04-04 | Release date: | 1998-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Carbohydrate specificity and quaternary association in basic winged bean lectin: X-ray analysis of the lectin at 2.5 A resolution. J.Mol.Biol., 276, 1998
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1J4T
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![BU of 1j4t by Molmil](/molmil-images/mine/1j4t) | Structure of Artocarpin: a Lectin with Mannose Specificity (Form 2) | Descriptor: | Artocarpin | Authors: | Pratap, J.V, Jeyaprakash, A.A, Rani, P.G, Sekar, K, Surolia, A, Vijayan, M. | Deposit date: | 2001-10-30 | Release date: | 2002-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-alpha-D-mannose: implications to the generation of carbohydrate specificity. J.Mol.Biol., 317, 2002
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4WRV
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![BU of 4wrv by Molmil](/molmil-images/mine/4wrv) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form III | Descriptor: | CHLORIDE ION, URACIL, Uracil-DNA glycosylase | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WRZ
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![BU of 4wrz by Molmil](/molmil-images/mine/4wrz) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (AB), Form I | Descriptor: | 5-FLUOROURACIL, CHLORIDE ION, CITRIC ACID, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.193 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WPL
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![BU of 4wpl by Molmil](/molmil-images/mine/4wpl) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form I | Descriptor: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-20 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS2
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![BU of 4ws2 by Molmil](/molmil-images/mine/4ws2) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form I | Descriptor: | 6-aminopyrimidine-2,4(3H,5H)-dione, CHLORIDE ION, CITRIC ACID, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS7
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![BU of 4ws7 by Molmil](/molmil-images/mine/4ws7) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-chlorouracil, Form II | Descriptor: | 1,2-ETHANEDIOL, 5-chloropyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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1J4U
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![BU of 1j4u by Molmil](/molmil-images/mine/1j4u) | Structure of Artocarpin Complexed with Me-alpha-Mannose | Descriptor: | Artocarpin, methyl alpha-D-mannopyranoside | Authors: | Pratap, J.V, Jeyaprakash, A.A, Rani, P.G, Sekar, K, Surolia, A, Vijayan, M. | Deposit date: | 2001-10-30 | Release date: | 2002-03-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of artocarpin, a Moraceae lectin with mannose specificity, and its complex with methyl-alpha-D-mannose: implications to the generation of carbohydrate specificity. J.Mol.Biol., 317, 2002
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4WS4
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![BU of 4ws4 by Molmil](/molmil-images/mine/4ws4) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form I | Descriptor: | 5-nitrouracil, CHLORIDE ION, CITRIC ACID, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WRX
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![BU of 4wrx by Molmil](/molmil-images/mine/4wrx) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase, Form V | Descriptor: | CHLORIDE ION, Uracil-DNA glycosylase | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS0
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![BU of 4ws0 by Molmil](/molmil-images/mine/4ws0) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil (A), Form II | Descriptor: | 1,2-ETHANEDIOL, 5-FLUOROURACIL, CHLORIDE ION, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.974 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS3
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![BU of 4ws3 by Molmil](/molmil-images/mine/4ws3) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 6-aminouracil, Form IV | Descriptor: | 6-aminopyrimidine-2,4(3H,5H)-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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4WS8
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![BU of 4ws8 by Molmil](/molmil-images/mine/4ws8) | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 2-thiouracil, Form V | Descriptor: | 2-thioxo-2,3-dihydropyrimidin-4(1H)-one, CHLORIDE ION, Uracil-DNA glycosylase | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | Deposit date: | 2014-10-25 | Release date: | 2015-07-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications. Acta Crystallogr.,Sect.D, 71, 2015
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2GES
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![BU of 2ges by Molmil](/molmil-images/mine/2ges) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (RT) | Descriptor: | Pantothenate kinase, [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-3-HYDROXY-4-{[3-({2-[(2-HYDROXYETHYL)DITHIO]ETHYL}AMINO)-3-OXOPROPYL]AMINO}-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | Deposit date: | 2006-03-20 | Release date: | 2006-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK. Acta Crystallogr.,Sect.D, 62, 2006
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2GEV
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![BU of 2gev by Molmil](/molmil-images/mine/2gev) | Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-II (LT) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Pantothenate kinase, ... | Authors: | Das, S, Kumar, P, Bhor, V, Surolia, A, Vijayan, M. | Deposit date: | 2006-03-20 | Release date: | 2006-06-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Invariance and variability in bacterial PanK: a study based on the crystal structure of Mycobacterium tuberculosis PanK. Acta Crystallogr.,Sect.D, 62, 2006
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2G88
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![BU of 2g88 by Molmil](/molmil-images/mine/2g88) | MSRECA-dATP COMPLEX | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CITRIC ACID, MAGNESIUM ION, ... | Authors: | Krishna, R, Manjunath, G.P, Kumar, P, Surolia, A, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2006-03-02 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystallographic identification of an ordered C-terminal domain and a second nucleotide-binding site in RecA: new insights into allostery. Nucleic Acids Res., 34, 2006
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3LT4
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![BU of 3lt4 by Molmil](/molmil-images/mine/3lt4) | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant PB4 | Descriptor: | 2-(2-amino-4-chlorophenoxy)-5-chlorophenol, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Maity, K, Bhargav, S.P, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2010-02-15 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition Iubmb Life, 62, 2010
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3LT2
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![BU of 3lt2 by Molmil](/molmil-images/mine/3lt2) | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T3 | Descriptor: | 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Maity, K, Bhargav, S.P, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2010-02-14 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition Iubmb Life, 62, 2010
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3LT1
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![BU of 3lt1 by Molmil](/molmil-images/mine/3lt1) | Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T2 | Descriptor: | 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Maity, K, Bhargav, S.P, Sankaran, B, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2010-02-14 | Release date: | 2010-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray crystallographic analysis of the complexes of enoyl acyl carrier protein reductase of Plasmodium falciparum with triclosan variants to elucidate the importance of different functional groups in enzyme inhibition Iubmb Life, 62, 2010
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