5ZI8
| Crystal structure of the PadR-family transcriptional regulator Rv3488 of Mycobacterium tuberculosis H37Rv in complex with cadmium ion | Descriptor: | CADMIUM ION, Transcriptional regulator | Authors: | Meera, K, pal, R.K, Arora, A, Biswal, B.K. | Deposit date: | 2018-03-14 | Release date: | 2018-10-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and functional characterization of the transcriptional regulator Rv3488 ofMycobacterium tuberculosisH37Rv. Biochem. J., 475, 2018
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5ZK0
| Crystal structure of Peptidyl-tRNA hydrolase mutant -M71A from Vibrio cholerae | Descriptor: | Peptidyl-tRNA hydrolase, SODIUM ION | Authors: | Shahid, S, Kabra, A, Pal, R.K, Arora, A. | Deposit date: | 2018-03-22 | Release date: | 2018-06-06 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Role of methionine 71 in substrate recognition and structural integrity of bacterial peptidyl-tRNA hydrolase. Biochim. Biophys. Acta, 1866, 2018
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5EKT
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5GVZ
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7WH4
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7Y52
| Crystal structure of peptidyl-tRNA hydrolase from Enterococcus faecium | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peptidyl-tRNA hydrolase, ... | Authors: | Pandey, R, Zohib, M, Mundra, S, Pal, R.K, Arora, A. | Deposit date: | 2022-06-16 | Release date: | 2024-01-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Characterization of structure of peptidyl-tRNA hydrolase from Enterococcus faecium and its inhibition by a pyrrolinone compound. Int.J.Biol.Macromol., 275, 2024
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5HDW
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4U5Q
| High resolution crystal structure of reductase (R) domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis | Descriptor: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Peptide synthetase | Authors: | Patel, K.D, Haque, A.S, Priyadarshan, K, Sankaranarayanan, R. | Deposit date: | 2014-07-25 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | High resolution structure of R-domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis To Be Published
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5ZWS
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5ZWT
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5ZQN
| Crystal structure of Mycobacterium tuberculosis HisB in complex with a ligand | Descriptor: | (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, CHLORIDE ION, Imidazoleglycerol-phosphate dehydratase, ... | Authors: | Kumar, D, Pal, R.K, Biswal, B.K. | Deposit date: | 2018-04-19 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase. Proteins, 2021
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4DQV
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7CLL
| Mycobacterium tubeculosis enolase in complex with 2-Phosphoglycerate | Descriptor: | 2-PHOSPHOGLYCERIC ACID, ACETATE ION, CHLORIDE ION, ... | Authors: | Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K. | Deposit date: | 2020-07-21 | Release date: | 2021-07-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
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7CLK
| Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate | Descriptor: | 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ... | Authors: | Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K. | Deposit date: | 2020-07-21 | Release date: | 2022-01-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
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7E4F
| Mycobacterium tuberculosis enolase mutant - E204A complex with phosphoenolpyruvate | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ahmad, M, Pal, R.K, Biswal, B.K. | Deposit date: | 2021-02-11 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis. Iucrj, 10, 2023
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6KHH
| Crystal Structure of HisB from Mycobacterium tuberculosis | Descriptor: | ACETAMIDE, CHLORIDE ION, Imidazoleglycerol-phosphate dehydratase, ... | Authors: | Kumar, D, Jha, B, Pal, R.K, Biswal, B.K. | Deposit date: | 2019-07-15 | Release date: | 2020-07-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase. Proteins, 2021
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4O9V
| Crystal structure of matriptase in complex with inhibitor | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | Deposit date: | 2014-01-03 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg.Med.Chem., 22, 2014
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4O97
| Crystal structure of matriptase in complex with inhibitor | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | Deposit date: | 2014-01-02 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy. Bioorg.Med.Chem., 22, 2014
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8ILU
| Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | Descriptor: | (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-(2-methyl-1,3-benzothiazol-6-yl)-1,2,4-triazol-3-yl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, SODIUM ION, ... | Authors: | Kumar, A, Jinal, S, Raman, S, Ghosh, K. | Deposit date: | 2023-03-04 | Release date: | 2024-03-06 | Last modified: | 2024-09-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Identification of benzothiazole derived monosaccharides as potent, selective, and orally bioavailable inhibitors of human and mouse galectin-3; a rare example of using a S···O binding interaction for drug design. Bioorg.Med.Chem., 101, 2024
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7RJ8
| CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | Authors: | Pokross, M, Muckelbauer, J. | Deposit date: | 2021-07-20 | Release date: | 2022-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J.Med.Chem., 65, 2022
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7RJ6
| CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-(DIFLUOROM ETHOXY)-4-(1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE | Descriptor: | (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-f][1,2,4]triazin-4-amine, AP2-associated protein kinase 1, ... | Authors: | Muckelbauer, J. | Deposit date: | 2021-07-20 | Release date: | 2022-02-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.132 Å) | Cite: | Bicyclic Heterocyclic Replacement of an Aryl Amide Leading to Potent and Kinase-Selective Adaptor Protein 2-Associated Kinase 1 Inhibitors. J.Med.Chem., 65, 2022
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7RJ7
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7XFA
| Structure of human Galectin-3 CRD in complex with monosaccharide inhibitor | Descriptor: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Shukla, J, Raman, S, Ghosh, K. | Deposit date: | 2022-04-01 | Release date: | 2022-10-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3. J.Med.Chem., 65, 2022
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