1MF4
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![BU of 1mf4 by Molmil](/molmil-images/mine/1mf4) | Structure-based design of potent and selective inhibitors of phospholipase A2: Crystal structure of the complex formed between phosholipase A2 from Naja Naja sagittifera and a designed peptide inhibitor at 1.9 A resolution | Descriptor: | CALCIUM ION, Phospholipase A2, VAL-ALA-PHE-ARG-SER | Authors: | Singh, R.K, Vikram, P, Paramsivam, M, Jabeen, T, Sharma, S, Makker, J, Dey, S, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2002-08-09 | Release date: | 2003-09-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design of specific peptide inhibitors for group I phospholipase A2: structure of a complex formed between phospholipase A2 from Naja naja sagittifera (group I) and a designed peptide inhibitor Val-Ala-Phe-Arg-Ser (VAFRS) at 1.9 A resolution reveals unique features Biochemistry, 42, 2003
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5HPW
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![BU of 5hpw by Molmil](/molmil-images/mine/5hpw) | Mode of binding of antithyroid drug, propylthiouracil to lactoperoxidase: Binding studies and structure determination | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Singh, R.P, Singh, A, Sharma, P, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2016-01-21 | Release date: | 2016-04-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mode of binding of antithyroid drug, propylthiouracil to lactoperoxidase: Binding studies and structure determination To Be Published
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6LTV
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![BU of 6ltv by Molmil](/molmil-images/mine/6ltv) | Crystal Structure of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis in complex with ONB-SAM (2-nitro benzyme S-adenosyl-methionine) | Descriptor: | MAGNESIUM ION, S-adenosylmethionine synthase, TRIPHOSPHATE, ... | Authors: | Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D. | Deposit date: | 2020-01-23 | Release date: | 2020-10-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions. Angew.Chem.Int.Ed.Engl., 60, 2021
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4QJQ
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![BU of 4qjq by Molmil](/molmil-images/mine/4qjq) | Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 Angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL, ... | Authors: | Singh, R.P, Kushwaha, G.S, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2014-06-04 | Release date: | 2014-06-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of goat lactoperoxidase in complex with octopamine at 2.1 Angstrom resolution To be Published
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7YVY
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![BU of 7yvy by Molmil](/molmil-images/mine/7yvy) | |
1OXR
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![BU of 1oxr by Molmil](/molmil-images/mine/1oxr) | Aspirin induces its Anti-inflammatory effects through its specific binding to Phospholipase A2: Crystal structure of the complex formed between Phospholipase A2 and Aspirin at 1.9A resolution | Descriptor: | 2-(ACETYLOXY)BENZOIC ACID, CALCIUM ION, Phospholipase A2 isoform 3 | Authors: | Singh, R.K, Ethayathulla, A.S, Jabeen, T, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2003-04-03 | Release date: | 2004-04-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Aspirin induces its anti-inflammatory effects through its specific binding to phospholipase A2: crystal structure of the complex formed between phospholipase A2 and aspirin at 1.9 angstroms resolution. J.Drug Target., 13, 2005
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5FF1
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![BU of 5ff1 by Molmil](/molmil-images/mine/5ff1) | Two way mode of binding of antithyroid drug methimazole to mammalian heme peroxidases: Structure of the complex of lactoperoxidase with methimazole at 1.97 Angstrom resolution | Descriptor: | 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Singh, R.P, Singh, A, Sirohi, H, Singh, A.K, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2015-12-17 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Dual binding mode of antithyroid drug methimazole to mammalian heme peroxidases - structural determination of the lactoperoxidase-methimazole complex at 1.97 angstrom resolution. Febs Open Bio, 6, 2016
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6LTW
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![BU of 6ltw by Molmil](/molmil-images/mine/6ltw) | Crystal structure of Apo form of I122A/I330A variant of S-adenosylmethionine synthetase from Cryptosporidium hominis | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, S-adenosylmethionine synthase | Authors: | Singh, R.K, Michailidou, F, Rentmeister, A, Kuemmel, D. | Deposit date: | 2020-01-23 | Release date: | 2020-10-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Engineered SAM Synthetases for Enzymatic Generation of AdoMet Analogs with Photocaging Groups and Reversible DNA Modification in Cascade Reactions. Angew.Chem.Int.Ed.Engl., 60, 2021
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7P9D
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![BU of 7p9d by Molmil](/molmil-images/mine/7p9d) | Crystal structure of Chlamydomonas reinhardtii NADPH Dependent Thioredoxin Reductase 1 domain | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase | Authors: | Singh, R.K, Marchetti, G.M, Hippler, M, Kuemmel, D. | Deposit date: | 2021-07-27 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural analysis revealed a novel conformation of the NTRC reductase domain from Chlamydomonas reinhardtii. J.Struct.Biol., 214, 2021
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4KSZ
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![BU of 4ksz by Molmil](/molmil-images/mine/4ksz) | Crystal structure of bovine lactoperoxidase complexed with cystiene at 1.98A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Singh, R.P, Singh, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2013-05-19 | Release date: | 2013-07-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structure of bovine lactoperoxidase complexed with cystiene at 1.98A resolution To be Published
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1EGQ
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![BU of 1egq by Molmil](/molmil-images/mine/1egq) | ENHANCEMENT OF ENZYME ACTIVITY THROUGH THREE-PHASE PARTITIONING: CRYSTAL STRUCTURE OF A MODIFIED SERINE PROTEINASE AT 1.5 A RESOLUTION | Descriptor: | ACETIC ACID, CALCIUM ION, PROTEINASE K | Authors: | Singh, R.K, Gourinath, S, Sharma, S, Ray, I, Gupta, M.N, Singh, T.P. | Deposit date: | 2000-02-16 | Release date: | 2001-02-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Enhancement of enzyme activity through three-phase partitioning: crystal structure of a modified serine proteinase at 1.5 A resolution. Protein Eng., 14, 2001
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1LN8
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![BU of 1ln8 by Molmil](/molmil-images/mine/1ln8) | Crystal Structure of a New Isoform of Phospholipase A2 from Naja naja sagittifera at 1.6 A Resolution | Descriptor: | CALCIUM ION, PHOSPHATE ION, Phospholipase A2 | Authors: | Singh, R.K, Vikram, P, Paramasivam, M, Jabeen, T, Sharma, S, Kaur, P, Srinivasan, A, Singh, T.P. | Deposit date: | 2002-05-03 | Release date: | 2003-05-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of a New Form of Phospholipase A2 from Naja naja sagittifera at 1.6 A Resolution to be published
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2JCG
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![BU of 2jcg by Molmil](/molmil-images/mine/2jcg) | Apo form of the catabolite control protein A (ccpA) from bacillus megaterium, with the DNA binding domain | Descriptor: | CALCIUM ION, GLUCOSE-RESISTANCE AMYLASE REGULATOR | Authors: | Singh, R.K, Panjikar, S, Palm, G.J, Hinrichs, W. | Deposit date: | 2006-12-22 | Release date: | 2007-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the Apo Form of the Catabolite Control Protein a (Ccpa) from Bacillus Megaterium with a DNA-Binding Domain. Acta Crystallogr.,Sect.F, 63, 2007
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1YXL
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![BU of 1yxl by Molmil](/molmil-images/mine/1yxl) | Crystal structure of a novel phospholipase A2 from Naja naja sagittifera at 1.5 A resolution | Descriptor: | ACETIC ACID, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Singh, R.K, Jabeen, T, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2005-02-22 | Release date: | 2005-03-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.477 Å) | Cite: | Crystal Structure of a novel phospholipase A2 from Naja naja sagittifera at 1.5 A resolution To be Published
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3R55
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![BU of 3r55 by Molmil](/molmil-images/mine/3r55) | Crystal structure of the complex of goat lactoperoxidase with Pyrazinamide at 2.1 A resolution | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Singh, R.P, Pandey, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-03-18 | Release date: | 2011-08-03 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the complex of goat lactoperoxidase with Pyrazinamide at 2.1 A resolution To be Published
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1ZM6
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![BU of 1zm6 by Molmil](/molmil-images/mine/1zm6) | Crystal structure of the complex formed beween a group I phospholipase A2 and designed penta peptide Leu-Ala-Ile-Tyr-Ser at 2.6A resolution | Descriptor: | ACETATE ION, Phospholipase A2 isoform 3, designed penta peptide Leu-Ala-Ile-Tyr-Ser | Authors: | Singh, R.K, Singh, N, Jabeen, T, Sharma, S, Dey, S, Singh, T.P. | Deposit date: | 2005-05-10 | Release date: | 2005-06-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the complex of group I PLA2 with a group II-specific peptide Leu-Ala-Ile-Tyr-Ser (LAIYS) at 2.6 A resolution. J.Drug Target., 13, 2005
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7CAY
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![BU of 7cay by Molmil](/molmil-images/mine/7cay) | Crystal Structure of Lon N-terminal domain protein from Xanthomonas campestris | Descriptor: | ATP-dependent protease | Authors: | Singh, R, Sharma, B, Deshmukh, S, Kumar, A, Makde, R.D. | Deposit date: | 2020-06-10 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of XCC3289 from Xanthomonas campestris: homology with the N-terminal substrate-binding domain of Lon peptidase. Acta Crystallogr.,Sect.F, 76, 2020
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6GYE
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![BU of 6gye by Molmil](/molmil-images/mine/6gye) | Crystal structure of NadR protein in complex with NR | Descriptor: | Nicotinamide riboside, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, SULFATE ION | Authors: | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-06-29 | Release date: | 2019-07-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Functional Characterization of NadR fromLactococcus lactis. Molecules, 25, 2020
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7BKP
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![BU of 7bkp by Molmil](/molmil-images/mine/7bkp) | CryoEM structure of disease related M854K MDA5-dsRNA filament in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, MAGNESIUM ION, ... | Authors: | Singh, R, Herrero del Valle, A, Yu, Q, Modis, Y. | Deposit date: | 2021-01-16 | Release date: | 2021-11-17 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | MDA5 disease variant M854K prevents ATP-dependent structural discrimination of viral and cellular RNA. Nat Commun, 12, 2021
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1T37
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![BU of 1t37 by Molmil](/molmil-images/mine/1t37) | Design of specific inhibitors of phospholipase A2: Crystal structure of the complex formed between group I phospholipase A2 and a designed pentapeptide Leu-Ala-Ile-Tyr-Ser at 2.6A resolution | Descriptor: | ACETATE ION, Phospholipase A2 isoform 3, Synthetic peptide | Authors: | Singh, R.K, Singh, N, Jabeen, T, Makker, J, Sharma, S, Dey, S, Singh, T.P. | Deposit date: | 2004-04-25 | Release date: | 2004-05-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the complex of group I PLA2 with a group II-specific peptide Leu-Ala-Ile-Tyr-Ser (LAIYS) at 2.6 A resolution. J.Drug Target., 13, 2005
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6A9T
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![BU of 6a9t by Molmil](/molmil-images/mine/6a9t) | Crystal structure of Icp55 from Saccharomyces cerevisiae (N-terminal 58 residues deletion) | Descriptor: | GLYCINE, Intermediate cleaving peptidase 55, MANGANESE (II) ION, ... | Authors: | Singh, R, Kumar, A, Goyal, V.D, Makde, R.D. | Deposit date: | 2018-07-16 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures and biochemical analyses of intermediate cleavage peptidase: role of dynamics in enzymatic function. FEBS Lett., 593, 2019
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7XLY
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![BU of 7xly by Molmil](/molmil-images/mine/7xly) | Crystal structure of FadA2 (Rv0243) from the fatty acid metabolic pathway of Mycobacterium tuberculosis | Descriptor: | Probable acetyl-CoA acyltransferase FadA2 (3-ketoacyl-CoA thiolase) (Beta-ketothiolase), SULFATE ION | Authors: | Singh, R, Kundu, P, Singh, B.K, Bhattacharyya, S, Das, A.K. | Deposit date: | 2022-04-23 | Release date: | 2023-04-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of FadA2 thiolase from Mycobacterium tuberculosis and prediction of its substrate specificity and membrane-anchoring properties. Febs J., 290, 2023
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6GYF
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![BU of 6gyf by Molmil](/molmil-images/mine/6gyf) | Crystal structure of NadR protein in complex with NR | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, ... | Authors: | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-06-29 | Release date: | 2019-07-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Functional Characterization of NadR fromLactococcus lactis. Molecules, 25, 2020
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6GZO
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![BU of 6gzo by Molmil](/molmil-images/mine/6gzo) | Crystal structure of NadR protein in complex with NAD and AMP-PNP | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Nicotinamide-nucleotide adenylyltransferase NadR family / Ribosylnicotinamide kinase, PHOSPHATE ION, ... | Authors: | Singh, R, Stetsenko, A, Jaehme, M, Guskov, A, Slotboom, D.J. | Deposit date: | 2018-07-04 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Functional Characterization of NadR fromLactococcus lactis. Molecules, 25, 2020
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1SZ8
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![BU of 1sz8 by Molmil](/molmil-images/mine/1sz8) | Crystal Structure of an Acidic Phospholipase A2 from Naja Naja Sagittifera at 1.5 A resolution | Descriptor: | ACETIC ACID, CALCIUM ION, PHOSPHATE ION, ... | Authors: | Singh, R.K, Sharma, S, Jabeen, T, Kaur, P, Singh, T.P. | Deposit date: | 2004-04-05 | Release date: | 2004-04-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of an Acidic Phospholipase A2 from Naja Naja Sagittifera at 1.5 A Resolution To be Published
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