8I66
 
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid) and citric acid, Form I | | Descriptor: | 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, CITRIC ACID, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I65
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with isoorotic acid (2,4-Dihydroxypyrimidine-5-carboxylic Acid), Form I | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I6D
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 5-Hydroxy-2,4(1H,3H)-pyrimidinedione, Form VI | | Descriptor: | 1,2-ETHANEDIOL, 5-oxidanyl-1~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I6A
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Orotic acid, Form III | | Descriptor: | 1,2-ETHANEDIOL, OROTIC ACID, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I6C
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with 6-Formyl-uracil, Form III | | Descriptor: | 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I64
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Barbituric acid, Form II | | Descriptor: | 1,2-ETHANEDIOL, BARBITURIC ACID, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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8I68
 | | Crystal structure of Mycobacterium tuberculosis Uracil-DNA glycosylase in complex with Uric acid, Form III | | Descriptor: | 1,2-ETHANEDIOL, URIC ACID, Uracil-DNA glycosylase | | Authors: | Raj, P, Paul, A, Gopal, B. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structures of non-uracil ring fragments in complex with Mycobacterium tuberculosis uracil DNA glycosylase (MtUng) as a starting point for novel inhibitor design: A case study with the barbituric acid fragment.
Eur.J.Med.Chem., 258, 2023
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4PG4
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4PG8
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4PG6
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4PG5
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4PG7
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5ITV
 | | Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase in complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Dihydroanticapsin 7-dehydrogenase | | Authors: | Perinbam, K, Balaram, H, Row, T.N.G, Gopal, B. | | Deposit date: | 2016-03-17 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC.
Protein Eng. Des. Sel., 30, 2017
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5ITW
 | | Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase | | Descriptor: | Dihydroanticapsin 7-dehydrogenase, SULFATE ION | | Authors: | Perinbam, K, Balaram, H, Row, T.N.G, Gopal, B. | | Deposit date: | 2016-03-17 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Probing the influence of non-covalent contact networks identified by charge density analysis on the oxidoreductase BacC.
Protein Eng. Des. Sel., 30, 2017
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5JFE
 | | Flavin-dependent thymidylate synthase with H2-dUMP | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-uridylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Sapra, A, Stuckey, J, Palfey, B. | | Deposit date: | 2016-04-19 | | Release date: | 2017-04-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Evaluating H2-dUMP as an Intermediate in the oxidation of Flavin-dependent Thymidylate Synthase
To Be Published
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5J5D
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3VEP
 | | Crystal structure of SigD4 in complex with its negative regulator RsdA | | Descriptor: | Probable RNA polymerase sigma-D factor, SULFATE ION, Uncharacterized protein Rv3413c/MT3522 | | Authors: | Jaiswal, R.K, Gopal, B. | | Deposit date: | 2012-01-09 | | Release date: | 2013-02-13 | | Last modified: | 2013-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mycobacterium tuberculosis RsdA provides a conformational rationale for selective regulation of sigma-factor activity by proteolysis
Nucleic Acids Res., 41, 2013
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4EWT
 | | The crystal structure of a putative aminohydrolase from methicillin resistant Staphylococcus aureus | | Descriptor: | 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | | Authors: | Girish, T.S, Vivek, B, Colaco, M, Misquith, S, Gopal, B. | | Deposit date: | 2012-04-27 | | Release date: | 2013-02-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of an amidohydrolase, SACOL0085, from methicillin-resistant Staphylococcus aureus COL
Acta Crystallogr.,Sect.F, 69, 2013
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3W8W
 | | The crystal structure of EncM | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM | | Authors: | Teufel, R, Miyanaga, A, Stull, F, Michaudel, Q, Louie, G, Noel, J.P, Baran, P.S, Palfey, B, Moore, B.S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Flavin-mediated dual oxidation controls an enzymatic Favorskii-type rearrangement.
Nature, 503, 2013
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3W8Z
 | | The complex structure of EncM with hydroxytetraketide | | Descriptor: | (7S)-7-hydroxy-1-phenyloctane-1,3,5-trione, FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM | | Authors: | Teufel, R, Miyanaga, A, Stull, F, Michaudel, Q, Louie, G, Noel, J.P, Baran, P.S, Palfey, B, Moore, B.S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Flavin-mediated dual oxidation controls an enzymatic Favorskii-type rearrangement.
Nature, 503, 2013
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3W8X
 | | The complex structure of EncM with trifluorotriketide | | Descriptor: | 6,6,6-trifluoro-1-phenylhexane-1,3,5-trione, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Teufel, R, Miyanaga, A, Stull, F, Michaudel, Q, Louie, G, Noel, J.P, Baran, P.S, Palfey, B, Moore, B.S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-10-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Flavin-mediated dual oxidation controls an enzymatic Favorskii-type rearrangement.
Nature, 503, 2013
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3H7J
 | | Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in monoclinic form | | Descriptor: | 3-PHENYLPYRUVIC ACID, Bacilysin biosynthesis protein bacB, COBALT (II) ION, ... | | Authors: | Rajavel, M, Gopal, B. | | Deposit date: | 2009-04-27 | | Release date: | 2009-09-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Role of Bacillus subtilis BacB in the synthesis of bacilysin
J.Biol.Chem., 284, 2009
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3H7Y
 | | Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in tetragonal form | | Descriptor: | 3-PHENYLPYRUVIC ACID, Bacilysin biosynthesis protein bacB, COBALT (II) ION, ... | | Authors: | Rajavel, M, Gopal, B. | | Deposit date: | 2009-04-28 | | Release date: | 2009-09-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Role of Bacillus subtilis BacB in the synthesis of bacilysin
J.Biol.Chem., 284, 2009
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7RDN
 | | Crystal structure of S. cerevisiae pre-mRNA leakage protein 39 (Pml39) | | Descriptor: | Pre-mRNA leakage protein 39, ZINC ION | | Authors: | Hashimoto, H, Ramirez, D.H, Pawlak, N, Blobel, G, Palancade, B, Debler, E.W. | | Deposit date: | 2021-07-09 | | Release date: | 2022-07-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure of the pre-mRNA leakage 39-kDa protein reveals a single domain of integrated zf-C3HC and Rsm1 modules.
Sci Rep, 12, 2022
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5XE7
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