3AVQ
| Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with N9-Pan | Descriptor: | (2S)-2,4-dihydroxy-3,3-dimethyl-N-[3-(nonylamino)-3-oxopropyl]butanamide, CITRATE ANION, GLYCEROL, ... | Authors: | Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M. | Deposit date: | 2011-03-06 | Release date: | 2011-08-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action Acta Crystallogr.,Sect.D, 67, 2011
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3B3I
| Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes | Descriptor: | Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ... | Authors: | Beltrami, A, Rossmann, M, Fiorillo, M.T, Paladini, F, Sorrentino, R, Saenger, W, Kumar, P, Ziegler, A, Uchanska-Ziegler, B. | Deposit date: | 2007-10-22 | Release date: | 2008-07-22 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Citrullination-dependent differential presentation of a self-peptide by HLA-B27 subtypes. J.Biol.Chem., 283, 2008
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2ZSA
| Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and Phosphopantothenate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2008-09-04 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action Acta Crystallogr.,Sect.D, 65, 2009
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2ZSD
| Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Coenzyme A | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, GLYCEROL, ... | Authors: | Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2008-09-05 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action Acta Crystallogr.,Sect.D, 65, 2009
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4I14
| Crystal Structure of Mtb-ribA2 (Rv1415) | Descriptor: | Riboflavin biosynthesis protein RibBA, SULFATE ION, ZINC ION | Authors: | Singh, M, Kumar, P, Yadav, S, Gautam, R, Sharma, N, Karthikeyan, S. | Deposit date: | 2012-11-20 | Release date: | 2013-08-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The crystal structure reveals the molecular mechanism of bifunctional 3,4-dihydroxy-2-butanone 4-phosphate synthase/GTP cyclohydrolase II (Rv1415) from Mycobacterium tuberculosis Acta Crystallogr.,Sect.D, 69, 2013
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2ZS7
| Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with citrate anion | Descriptor: | CITRATE ANION, GLYCEROL, Pantothenate kinase, ... | Authors: | Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2008-09-03 | Release date: | 2009-07-21 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action Acta Crystallogr.,Sect.D, 65, 2009
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3AVP
| Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with Pantothenol | Descriptor: | (2S)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide, CITRATE ANION, GLYCEROL, ... | Authors: | Chetnani, B, Kumar, P, Abhinav, K.V, Chhibber, M, Surolia, A, Vijayan, M. | Deposit date: | 2011-03-06 | Release date: | 2011-08-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Location and conformation of pantothenate and its derivatives in Mycobacterium tuberculosis pantothenate kinase: insights into enzyme action Acta Crystallogr.,Sect.D, 67, 2011
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5AFS
| structure of Zn-bound periplasmic metal binding protein from candidatus liberibacter asiaticus | Descriptor: | ACETATE ION, GLYCEROL, PERIPLASMIC SOLUTE BINDING PROTEIN, ... | Authors: | Sharma, N, Selvakumar, P, Kumar, P, Sharma, A.K. | Deposit date: | 2015-01-23 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Crystal structure analysis in Zn(2+)-bound state and biophysical characterization of CLas-ZnuA2. Biochim. Biophys. Acta, 1864, 2016
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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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5ZH8
| Crystal Structure of FmtA from Staphylococcus aureus at 2.58 A | Descriptor: | GLYCEROL, Protein FmtA | Authors: | Dalal, V, Kumar, P, Golemi-Kotra, D, Kumar, P. | Deposit date: | 2018-03-12 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Repurposing an Ancient Protein Core Structure: Structural Studies on FmtA, a Novel Esterase of Staphylococcus aureus. J.Mol.Biol., 431, 2019
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6KM8
| Crystal Structure of Momordica charantia 7S globulin | Descriptor: | 7S globulin, ACETATE ION, COPPER (II) ION | Authors: | Kesari, P, Pratap, S, Dhankhar, P, Dalal, V, Kumar, P. | Deposit date: | 2019-07-31 | Release date: | 2020-02-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.099 Å) | Cite: | Structural characterization and in-silico analysis of Momordica charantia 7S globulin for stability and ACE inhibition. Sci Rep, 10, 2020
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7F44
| Crystal structure of Moraxella catarrhalis enoyl-ACP-reductase (FabI) in complex with the cofactor NAD | Descriptor: | CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | Authors: | Katiki, M, Neetu, N, Pratap, S, Kumar, P. | Deposit date: | 2021-06-17 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol. Biochimie, 198, 2022
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7FC8
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7FCM
| Crystal structure of Moraxella catarrhalis enoyl-ACP-reductase (FabI) in complex with NAD and Triclosan | Descriptor: | CALCIUM ION, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Katiki, M, Neetu, N, Pratap, S, Kumar, P. | Deposit date: | 2021-07-15 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Biochemical and structural basis for Moraxella catarrhalis enoyl-acyl carrier protein reductase (FabI) inhibition by triclosan and estradiol. Biochimie, 198, 2022
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6LK2
| Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+, NAD and chlorogenic acid | Descriptor: | (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 3-dehydroquinate synthase, ... | Authors: | Neetu, N, Katiki, M, Kumar, P. | Deposit date: | 2019-12-17 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway. J.Bacteriol., 202, 2020
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6KMN
| Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Deferrochelatase/peroxidase EfeB, ... | Authors: | Dhankhar, P, Dalal, V, Mahto, J.K, Kumar, P. | Deposit date: | 2019-07-31 | Release date: | 2020-10-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Characterization of dye-decolorizing peroxidase from Bacillus subtilis. Arch.Biochem.Biophys., 693, 2020
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6KMM
| Crystal Structure of HEPES bound Dye Decolorizing peroxidase from Bacillus subtilis | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Dhankhar, P, Dalal, V, Mahto, J.K, Kumar, P. | Deposit date: | 2019-07-31 | Release date: | 2020-10-21 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Characterization of dye-decolorizing peroxidase from Bacillus subtilis. Arch.Biochem.Biophys., 693, 2020
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4OE7
| Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal | Descriptor: | (4R)-4-hydroxy-2,5-dioxopentanoic acid, (4S)-4-hydroxy-2,5-dioxopentanoic acid, 1,2-ETHANEDIOL, ... | Authors: | Manoj Kumar, P, Baskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-01-12 | Release date: | 2014-12-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal To be Published
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4ONV
| Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate | Descriptor: | 1,2-ETHANEDIOL, 2-KETO-3-DEOXYGLUCONATE, GLYCEROL, ... | Authors: | Manoj Kumar, P, Bhaskar, V, Manicka, S, Krishnaswamy, S. | Deposit date: | 2014-01-29 | Release date: | 2015-01-14 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate To be Published
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1X1V
| Structure Of Banana Lectin- Methyl-Alpha-Mannose Complex | Descriptor: | HEXANE-1,6-DIOL, ZINC ION, lectin, ... | Authors: | Singh, D.D, Saikrishnan, K, Kumar, P, Surolia, A, Sekar, K, Vijayan, M. | Deposit date: | 2005-04-14 | Release date: | 2005-11-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Unusual sugar specificity of banana lectin from Musa paradisiaca and its probable evolutionary origin. Crystallographic and modelling studies Glycobiology, 15, 2005
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7E5Q
| Crystal Structure of Dye Decolorizing peroxidase from Bacillus subtilis at acidic pH | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CITRIC ACID, ... | Authors: | Dhankhar, P, Dalal, V, Kumar, P. | Deposit date: | 2021-02-19 | Release date: | 2022-08-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights at acidic pH of dye-decolorizing peroxidase from Bacillus subtilis. Proteins, 2022
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6LLA
| Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+ and NAD | Descriptor: | 1,2-ETHANEDIOL, 3-dehydroquinate synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Neetu, N, Katiki, M, Kumar, P. | Deposit date: | 2019-12-22 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway. J.Bacteriol., 202, 2020
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7FHR
| Crystal Structure of a Rieske Oxygenase from Cupriavidus metallidurans | Descriptor: | 1,2-ETHANEDIOL, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Mahto, J.K, Dhankhar, P, Kumar, P. | Deposit date: | 2021-07-30 | Release date: | 2021-12-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni. J.Biol.Chem., 297, 2021
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5Z35
| Structure of Y68F mutant metal free periplasmic metal binding protein from candidatus liberibacter asiaticus | Descriptor: | ACETATE ION, GLYCEROL, Periplasmic solute binding protein, ... | Authors: | Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K. | Deposit date: | 2018-01-05 | Release date: | 2018-10-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2 J. Struct. Biol., 204, 2018
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5ZHA
| Structure of Y68F mutant Mn-Bound periplasmic metal binding protein from candidatus liberibacter asiaticus | Descriptor: | ACETATE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Saini, G, Sharma, N, Dalal, V, Kumar, P, Sharma, A.K. | Deposit date: | 2018-03-12 | Release date: | 2018-10-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The analysis of subtle internal communications through mutation studies in periplasmic metal uptake protein CLas-ZnuA2 J. Struct. Biol., 204, 2018
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