3AM3
| A372M mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan | Descriptor: | Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Maity, K, Banerjee, T, Narayanappa, P, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2010-08-14 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from plasmodium falciparum Iubmb Life, 63, 2011
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3AM5
| K316A mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan | Descriptor: | Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Maity, K, Banerjee, T, Narayanappa, P, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2010-08-14 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from plasmodium falciparum Iubmb Life, 63, 2011
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3AM4
| A372M mutant of Enoyl-ACP Reductase from Plasmodium falciparum (PfENR) in complex with triclosan variant T1 | Descriptor: | 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde, Enoyl-ACP reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Maity, K, Banerjee, T, Narayanappa, P, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2010-08-14 | Release date: | 2011-03-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Effect of substrate binding loop mutations on the structure, kinetics, and inhibition of enoyl acyl carrier protein reductase from plasmodium falciparum Iubmb Life, 63, 2011
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3AZA
| Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in complex with NAS91-10 | Descriptor: | 8-(benzyloxy)-5-chloroquinoline, Beta-hydroxyacyl-ACP dehydratase, GLYCEROL | Authors: | Maity, K, Venkata, B.S, Kapoor, N, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2011-05-21 | Release date: | 2012-02-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the functional and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Plasmodium falciparum J.Struct.Biol., 176, 2011
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3AZB
| Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in complex with NAS91-11 | Descriptor: | 5-chloro-8-[(3-chlorobenzyl)oxy]quinoline, Beta-hydroxyacyl-ACP dehydratase, GLYCEROL | Authors: | Maity, K, Venkata, B.S, Kapoor, N, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2011-05-21 | Release date: | 2012-02-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for the functional and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Plasmodium falciparum J.Struct.Biol., 176, 2011
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3AZ9
| Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in complex with NAS91 | Descriptor: | 4-chloro-2-[(5-chloroquinolin-8-yl)oxy]phenol, Beta-hydroxyacyl-ACP dehydratase, GLYCEROL, ... | Authors: | Maity, K, Venkata, B.S, Kapoor, N, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2011-05-21 | Release date: | 2012-02-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis for the functional and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Plasmodium falciparum J.Struct.Biol., 176, 2011
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3AZ8
| Beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Plasmodium falciparum in complex with NAS21 | Descriptor: | 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione, Beta-hydroxyacyl-ACP dehydratase, CHLORIDE ION, ... | Authors: | Maity, K, Venkata, B.S, Kapoor, N, Surolia, N, Surolia, A, Suguna, K. | Deposit date: | 2011-05-20 | Release date: | 2012-02-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural basis for the functional and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Plasmodium falciparum J.Struct.Biol., 176, 2011
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2TEP
| PEANUT LECTIN COMPLEXED WITH T-ANTIGENIC DISACCHARIDE | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PROTEIN (PEANUT LECTIN), ... | Authors: | Ravishankar, R, Ravindran, M, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 1999-04-05 | Release date: | 1999-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Specificity of Peanut Agglutinin for Thomsen-Friedenreich Antigen is Mediated by Water-Bridges Curr.Sci., 72, 1997
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7DED
| Mevo lectin complex with mannoheptose (Man7) | Descriptor: | 1,2-ETHANEDIOL, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ... | Authors: | Sivaji, N, Surolia, A, Vijayan, M. | Deposit date: | 2020-11-03 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.228 Å) | Cite: | Mevo lectin specificity toward high-mannose structures with terminal alpha Man(1,2) alpha Man residues and its implication to inhibition of the entry of Mycobacterium tuberculosis into macrophages. Glycobiology, 31, 2021
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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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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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7CB8
| Structure of a FIC-domain protein from Mycobacterium marinum in complex with CDP | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CYTIDINE-5'-DIPHOSPHATE, ... | Authors: | Kumar, S, Singh, A, Penmatsa, A, Surolia, A. | Deposit date: | 2020-06-11 | Release date: | 2021-08-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of of a FIC-domain protein from Mycobacterium marinum To Be Published
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4TZK
| Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed WITH 1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE | Descriptor: | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4TVT
| New ligand for thaumatin discovered using acoustic high throughput screening | Descriptor: | ASCORBIC ACID, L(+)-TARTARIC ACID, SODIUM ION, ... | Authors: | Teplitsky, E, Joshi, K, Ericson, D.L, Scalia, A, Mullen, J.D, Sweet, R.M, Soares, A.S. | Deposit date: | 2014-06-28 | Release date: | 2014-07-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density. J.Struct.Biol., 191, 2015
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4U0J
| Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with 1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, refined with new ligand restraints | Descriptor: | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-11 | Release date: | 2014-07-30 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4U0K
| Crystal structure of Mycobacterium tuberculosis enoyl reductase complexed with N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide | Descriptor: | (3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-11 | Release date: | 2014-07-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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5J50
| Structure of tetrameric jacalin complexed with Gal beta-(1,3) GalNAc-alpha-OPNP | Descriptor: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | Deposit date: | 2016-04-01 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of tetrameric jacalin complexed with Gal beta-(1,3) GalNAc-alpha-OPNP To Be Published
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4TRJ
| Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints | Descriptor: | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-06-17 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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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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4TZT
| CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS ENOYL REDUCTASE (INHA) COMPLEXED WITH N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | Descriptor: | (3S)-N-(3-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-07-10 | Release date: | 2014-08-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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1VBP
| Crystal structure of artocarpin-mannopentose complex | Descriptor: | SULFATE ION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ... | Authors: | Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M. | Deposit date: | 2004-02-28 | Release date: | 2004-06-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity J.Mol.Biol., 338, 2004
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5J4T
| Structure of tetrameric jacalin complexed with GlcNAc beta-(1,3) Gal-beta-OMe | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-methyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | Deposit date: | 2016-04-01 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with beta-substituted disaccharides. IUBMB Life, 69, 2017
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5J4X
| Structure of tetrameric jacalin complexed with Gal beta-(1,3) Gal-beta-OMe | Descriptor: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | Deposit date: | 2016-04-01 | Release date: | 2017-02-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Distortion of the ligand molecule as a strategy for modulating binding affinity: Further studies involving complexes of jacalin with beta-substituted disaccharides. IUBMB Life, 69, 2017
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1VBO
| Crystal structure of artocarpin-mannotriose complex | Descriptor: | alpha-D-mannopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, artocarpin | Authors: | Jeyaprakash, A.A, Srivastav, A, Surolia, A, Vijayan, M. | Deposit date: | 2004-02-28 | Release date: | 2004-06-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for the carbohydrate specificities of artocarpin: variation in the length of a loop as a strategy for generating ligand specificity J.Mol.Biol., 338, 2004
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2GET
| Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with a coenzyme A derivative, Form-I (LT) | Descriptor: | GLYCEROL, 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 (2.35 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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